static void GetProtListCallback (BioseqPtr bsp, Pointer userdata)
{
ValNodePtr PNTR pList;
SeqFeatPtr sfp;
SeqMgrFeatContext fcontext;
ProtRefPtr prp;
AlphaProtPtr app;
if (bsp == NULL || userdata == NULL || ! ISA_aa (bsp->mol)) return;
pList = (ValNodePtr PNTR) userdata;
app = (AlphaProtPtr) MemNew (sizeof (AlphaProtData));
if (app == NULL) return;
app->bsp = bsp;
app->prot_name = NULL;
sfp = SeqMgrGetNextFeature (bsp, NULL, SEQFEAT_PROT, 0, &fcontext);
if (sfp != NULL && sfp->data.value.ptrvalue != NULL)
{
prp = (ProtRefPtr) sfp->data.value.ptrvalue;
if (prp->name != NULL)
{
app->prot_name = StringSave (prp->name->data.ptrvalue);
}
else
{
app->prot_name = StringSave (fcontext.label);
}
}
ValNodeAddPointer (pList, 0, app);
}
static void DoSuggestIntervals (
BioseqPtr bsp,
Pointer userdata
)
{
CharPtr caret5, caret3;
CSpeedFlagPtr cfp;
Char id [64];
SeqLocPtr loc, slp;
Boolean partial5, partial3;
SeqAnnotPtr sap;
SeqFeatPtr sfp;
SeqIdPtr sip;
Int4 start, stop;
if (bsp == NULL) return;
if (! ISA_aa (bsp->mol)) return;
cfp = (CSpeedFlagPtr) userdata;
if (cfp == NULL || cfp->ofp == NULL || cfp->nucbsp == NULL) return;
sip = SeqIdFindBest (bsp->id, 0);
if (sip == NULL) return;
SeqIdWrite (sip, id, PRINTID_FASTA_SHORT, sizeof (id) - 1);
sap = SuggestCodingRegion (cfp->nucbsp, bsp, cfp->genCode);
if (sap == NULL) return;
if (sap->type == 1) {
sfp = (SeqFeatPtr) sap->data;
if (sfp != NULL && sfp->data.choice == SEQFEAT_CDREGION) {
loc = sfp->location;
if (loc != NULL) {
fprintf (cfp->ofp, "%s\n", id);
slp = SeqLocFindNext (loc, NULL);
while (slp != NULL) {
start = GetOffsetInBioseq (slp, cfp->nucbsp, SEQLOC_START) + 1;
stop = GetOffsetInBioseq (slp, cfp->nucbsp, SEQLOC_STOP) + 1;
caret5 = "";
caret3 = "";
CheckSeqLocForPartial (slp, &partial5, &partial3);
if (partial5) {
caret5 = "<";
}
if (partial3) {
caret3 = ">";
}
fprintf (cfp->ofp, "%s%ld\t%s%ld\n", caret5, (long) start, caret3, (long) stop);
slp = SeqLocFindNext (loc, slp);
}
}
}
}
SeqAnnotFree (sap);
}
static void CollectBioseqsForConversion (BioseqPtr bsp, Pointer userdata)
{
ValNodePtr PNTR list;
if (bsp == NULL || bsp->repr != Seq_repr_raw || ISA_aa (bsp->mol)) return;
if (userdata == NULL)
{
return;
}
list = (ValNodePtr PNTR) userdata;
ValNodeAddPointer (list, 0, bsp);
}
static void LookForSeqIDs (BioseqPtr bsp, Pointer userdata)
{
LookForIDsPtr lfip;
SeqIdPtr sip;
TextSeqIdPtr tsip;
lfip = (LookForIDsPtr) userdata;
if (ISA_na (bsp->mol)) {
lfip->isNuc = TRUE;
}
if (ISA_aa (bsp->mol)) {
lfip->isProt = TRUE;
}
for (sip = bsp->id; sip != NULL; sip = sip->next) {
switch (sip->choice) {
case SEQID_GENBANK :
case SEQID_EMBL :
case SEQID_DDBJ :
lfip->isGED = TRUE;
break;
case SEQID_TPG :
case SEQID_TPE :
case SEQID_TPD :
lfip->isTPA = TRUE;
break;
case SEQID_OTHER :
tsip = (TextSeqIdPtr) sip->data.ptrvalue;
if (tsip != NULL) {
if (StringNCmp (tsip->accession, "NC_", 3) == 0) {
lfip->isNC = TRUE;
} else if (StringNCmp (tsip->accession, "NT_", 3) == 0) {
lfip->isNTorNW = TRUE;
} else if (StringNCmp (tsip->accession, "NW_", 3) == 0) {
lfip->isNTorNW = TRUE;
}
}
break;
default :
break;
}
}
}
static void PopulateFetchItemCallback (BioseqPtr bsp, Pointer data)
{
PopulatePtr pp;
SeqIdPtr sip;
TextSeqIdPtr tsip;
Char buffer[15];
FetchItemPtr fetch_item = NULL;
if (bsp == NULL || ISA_aa(bsp->mol) || (pp = (PopulatePtr)data) == NULL) {
return;
}
for (sip = bsp->id; sip != NULL && fetch_item == NULL; sip = sip->next) {
switch (sip->choice) {
case SEQID_GI:
printf (buffer, "%d", sip->data.intvalue);
fetch_item = FindInFetchIndex(buffer);
break;
case SEQID_GENBANK :
case SEQID_EMBL :
case SEQID_DDBJ :
case SEQID_TPG :
case SEQID_TPE :
case SEQID_TPD :
case SEQID_OTHER :
tsip = (TextSeqIdPtr) sip->data.ptrvalue;
if (tsip != NULL) {
fetch_item = FindInFetchIndex(tsip->accession);
}
break;
default :
break;
}
}
if (fetch_item != NULL && fetch_item->index_pos < 0) {
/* collect field values */
fetch_item->field_values = CollectBioseqLineValues (bsp, pp->field_list, pp->want_gi);
fetch_item->index_pos = 0;
}
}
static void WriteOneProteinWithProduct (BioseqPtr bsp, Pointer data)
{
FastaExportOptionsPtr fe;
SeqFeatPtr prot;
SeqMgrFeatContext fcontext;
Char id [128];
if (bsp != NULL && ISA_aa (bsp->mol) && (fe = (FastaExportOptionsPtr) data) != NULL) {
prot = SeqMgrGetNextFeature (bsp, NULL, 0, FEATDEF_PROT, &fcontext);
if (prot == NULL) {
BioseqFastaStreamEx (bsp, fe->fp, fe->flags, fe->linelen, fe->blocklen, fe->grouplen,
TRUE, FALSE, FALSE);
} else {
SeqIdWrite (bsp->id, id, PRINTID_FASTA_LONG, sizeof (id) - 1);
fprintf (fe->fp, ">%s [prot=%s]\n", id, fcontext.label);
BioseqFastaStreamEx (bsp, fe->fp, fe->flags, fe->linelen, fe->blocklen, fe->grouplen,
FALSE, FALSE, FALSE);
}
}
}
static void PrintFarQualScores (SeqEntryPtr sep, Pointer data, Int4 index, Int2 indent)
{
BioseqPtr bsp;
FILE *fp;
if (IS_Bioseq (sep)) {
bsp = (BioseqPtr) sep->data.ptrvalue;
/* WARNING: we're assuming here that asn2fast's quality-score
output is DNA-centric, thus protein bioseqs can be ignored
in the PrintQualScores callback. --MLC, 5/2000 */
if (ISA_aa(bsp->mol))
return;
fp = (FILE*) data;
if (myargs [17].intvalue) {
PrintQualityScoresForContig (bsp, FALSE, fp);
} else {
PrintQualityScoresForContig (bsp, TRUE, fp);
}
}
}
/* WARNING not called and not tested... */
static Int4 FillCSANWithSeq(PCSAN pcsanThis, BioseqPtr pbsq, Int4 iLen)
{
SeqPortPtr spp = NULL;
Uint1 code = Seq_code_ncbieaa;
Uint1 residue;
Int4 iCount = 0;
CharPtr pcA;
if (!pcsanThis) return 0;
if (!ISA_aa(pbsq->mol)) return 0;
if (!iLen) return 0;
spp = SeqPortNew(pbsq, 0, -1, 0, code);
if (!spp) return 0;
SeqPortSeek(spp, 0, SEEK_SET);
pcsanThis->pcSeqAln = (CharPtr)MemNew((size_t) (1+ sizeof(char) * iLen));
pcA = pcsanThis->pcSeqAln;
residue = SeqPortGetResidue(spp);
iCount = 0;
while ((residue != SEQPORT_EOF) && (residue != '\0') && (iLen < iCount))
{
iCount++;
*pcA = (char) residue;
pcA++;
residue = SeqPortGetResidue(spp);
}
while (iCount < iLen)
{
*pcA = '-';
pcA++;
iCount++;
}
pcsanThis->pcSeqAln[iLen] = '\0';
SeqPortFree(spp);
return iCount;
}
Int2 LIBCALLBACK HydrophobicFunc (Pointer data)
{
OMProcControlPtr ompcp;
BioseqPtr bsp = NULL;
SeqFeatPtr sfp = NULL;
WindoW w;
GraphViewFormPtr gvp;
SeqIdPtr psip;
SeqPortPtr spp;
FloatHi scr[24];
Char res[24];
ompcp = (OMProcControlPtr) data;
if (ompcp == NULL || ompcp->input_itemtype == 0)
return OM_MSG_RET_ERROR;
switch (ompcp->input_itemtype)
{
case OBJ_BIOSEQ:
bsp = (BioseqPtr) ompcp->input_data;
if (!ISA_aa (bsp->mol))
return OM_MSG_RET_ERROR;
break;
case OBJ_SEQFEAT:
sfp = (SeqFeatPtr) ompcp->input_data;
break;
default:
return OM_MSG_RET_ERROR;
}
if (bsp != NULL)
{
w = (WindoW) CreateGraphViewForm (-50, -33, "Kyte-Doolittle-phobicity",
bsp, GRAPH_FILTER);
if ((gvp = (GraphViewFormPtr) GetObjectExtra (w)) == NULL)
{
/* w = Remove (w); */
return OM_MSG_RET_ERROR;
}
else
{
gvp->graphtype = GRAPH_FILTER;
if (ReadAAC ("KSkyte.flt", scr, res) != 24)
return OM_MSG_RET_ERROR;
gvp->window = 19;
gvp->type = AA_FILTER_COMP_KYTE;
gvp->entityID = ompcp->input_entityID;
gvp->itemID = ompcp->input_itemID;
spp = SeqPortNew (bsp, 0, bsp->length-1, 0, Seq_code_iupacaa);
gvp->sgp = FilterSeq (spp, 0, bsp->length-1, scr, res,
&(gvp->window), gvp->type);
SeqPortFree (spp);
if (gvp->sgp == NULL)
{
/* w = Remove (w); */
return OM_MSG_RET_ERROR;
}
else
{
BioseqPtrToGraphViewForm (gvp->form, gvp->sgp);
}
}
}
else if (sfp != NULL)
{
if (sfp->data.choice != SEQFEAT_CDREGION)
return OM_MSG_RET_ERROR;
psip = SeqLocId (sfp->product);
bsp = BioseqFind (psip);
w = (WindoW) CreateGraphViewForm (-50, -33, "Kyte-Doolittle-phobicity",
bsp, GRAPH_FILTER);
if ((gvp = (GraphViewFormPtr) GetObjectExtra (w)) == NULL)
{
/* w = Remove (w); */
return OM_MSG_RET_ERROR;
}
else
{
gvp->graphtype = GRAPH_FILTER;
if (ReadAAC ("KSkyte.flt", scr, res) != 24)
return OM_MSG_RET_ERROR;
gvp->window = 19;
gvp->type = AA_FILTER_COMP_KYTE;
gvp->entityID = ompcp->input_entityID;
gvp->itemID = ompcp->input_itemID;
spp = SeqPortNew (bsp, 0, bsp->length-1, 0, Seq_code_iupacaa);
gvp->sgp = FilterSeq (spp, 0, bsp->length-1, scr, res,
&(gvp->window), gvp->type);
SeqPortFree (spp);
if (gvp->sgp == NULL)
{
/* w = Remove (w); */
return OM_MSG_RET_ERROR;
}
else
{
BioseqPtrToGraphViewForm (gvp->form, gvp->sgp);
}
}
}
else
{
return OM_MSG_RET_ERROR;
}
Show (w);
Select (w);
return OM_MSG_RET_DONE;
}
Int2 LIBCALLBACK PCCPredictFunc (Pointer data)
{
OMProcControlPtr ompcp;
BioseqPtr bsp = NULL;
SeqFeatPtr sfp = NULL;
WindoW w;
GraphViewFormPtr gvp;
SeqIdPtr psip;
ompcp = (OMProcControlPtr) data;
if (ompcp == NULL || ompcp->input_itemtype == 0)
return OM_MSG_RET_ERROR;
switch (ompcp->input_itemtype)
{
case OBJ_BIOSEQ:
bsp = (BioseqPtr) ompcp->input_data;
if (!ISA_aa (bsp->mol))
return OM_MSG_RET_ERROR;
break;
case OBJ_SEQFEAT:
sfp = (SeqFeatPtr) ompcp->input_data;
break;
default:
return OM_MSG_RET_ERROR;
}
if (bsp != NULL)
{
w = (WindoW) CreateGraphViewForm (-50, -33, "Predict coiled-coil",
bsp, GRAPH_FILTER);
if ((gvp = (GraphViewFormPtr) GetObjectExtra (w)) == NULL)
{
/* w = Remove (w); */
return OM_MSG_RET_ERROR;
}
else
{
gvp->graphtype = GRAPH_FILTER;
gvp->window = 22;
gvp->type = AA_PCC;
gvp->entityID = ompcp->input_entityID;
gvp->itemID = ompcp->input_itemID;
if ((gvp->sgp = PCCProc (bsp, NULL, gvp->window)) == NULL)
{
/* w = Remove (w); */
return OM_MSG_RET_ERROR;
}
else
{
BioseqPtrToGraphViewForm (gvp->form, gvp->sgp);
}
}
}
else if (sfp != NULL)
{
if (sfp->data.choice != SEQFEAT_CDREGION)
return OM_MSG_RET_ERROR;
psip = SeqLocId (sfp->product);
bsp = BioseqFind (psip);
w = (WindoW) CreateGraphViewForm (-50, -33, "Predict coiled-coil",
bsp, GRAPH_FILTER);
if ((gvp = (GraphViewFormPtr) GetObjectExtra (w)) == NULL)
{
/* w = Remove (w); */
return OM_MSG_RET_ERROR;
}
else
{
gvp->graphtype = GRAPH_FILTER;
gvp->window = 22;
gvp->type = AA_PCC;
gvp->entityID = ompcp->input_entityID;
gvp->itemID = ompcp->input_itemID;
if ((gvp->sgp = PCCProc (bsp, NULL, gvp->window)) == NULL)
{
/* w = Remove (w); */
return OM_MSG_RET_ERROR;
}
else
{
BioseqPtrToGraphViewForm (gvp->form, gvp->sgp);
}
}
}
else
{
return OM_MSG_RET_ERROR;
}
Show (w);
Select (w);
return OM_MSG_RET_DONE;
}
static void DoProteins (BioseqPtr bsp, Pointer userdata)
{
Char buf [6];
SeqMgrFeatContext fcontext;
Boolean firstIsSig = FALSE;
Int4 left = 0, right = 0;
ScanDataPtr sdp;
SeqFeatPtr sfp, last = NULL;
SeqInt sint;
SeqPortPtr spp;
ValNode vn;
if (bsp == NULL) return;
if (! ISA_aa (bsp->mol)) return;
sdp = (ScanDataPtr) userdata;
sfp = SeqMgrGetNextFeature (bsp, NULL, 0, 0, &fcontext);
while (sfp != NULL) {
if (fcontext.featdeftype == FEATDEF_mat_peptide_aa ||
fcontext.featdeftype == FEATDEF_sig_peptide_aa ||
fcontext.featdeftype == FEATDEF_transit_peptide_aa) {
if (last != NULL) {
if (fcontext.left <= right) {
if (firstIsSig && fcontext.left == right &&
fcontext.featdeftype != FEATDEF_sig_peptide_aa) {
buf [0] = '\0';
if (right >= 4) {
MemSet ((Pointer) &vn, 0, sizeof (ValNode));
vn.choice = SEQLOC_INT;
vn.data.ptrvalue = &sint;
MemSet ((Pointer) &sint, 0, sizeof (SeqInt));
sint.id = SeqLocId (sfp->location);
sint.from = right - 3;
sint.to = right;
sint.strand = Seq_strand_plus;
spp = SeqPortNewByLoc (&vn, Seq_code_ncbieaa);
if (spp != NULL) {
SeqPortRead (spp, (BytePtr) buf, 4);
SeqPortFree (spp);
}
buf [4] = '\0';
}
PrintFeatureMessage (sfp, sdp, "SP", buf);
} else {
PrintFeatureMessage (sfp, sdp, "OV", NULL);
}
}
} else {
last = sfp;
left = fcontext.left;
right = fcontext.right;
if (fcontext.featdeftype == FEATDEF_sig_peptide_aa) {
firstIsSig = TRUE;
}
}
}
sfp = SeqMgrGetNextFeature (bsp, sfp, 0, 0, &fcontext);
}
}
Int2 Main()
{
AsnIoPtr aip;
BioseqPtr bsp;
Pointer dataptr;
Uint2 datatype;
Boolean found;
SPI_mRNAToHerdPtr h_head;
SPI_mRNAToHerdPtr h_prev;
SPI_mRNAToHerdPtr hptr;
FILE *ifp;
Boolean isGIlist;
Char line[60];
Boolean lowercase;
SeqLocPtr lcaseloc;
FILE *ofp;
FILE *ofp2;
SeqAlignPtr sap;
SeqAnnotPtr sanp;
SeqEntryPtr sep;
FILE *sfp;
SeqIdPtr sip;
SeqLocPtr slp;
SPI_bsinfoPtr spig;
SPI_bsinfoPtr spig_head;
SPI_bsinfoPtr spig_prev;
SPI_bsinfoPtr spim;
SPI_bsinfoPtr spim_head;
SPI_bsinfoPtr spim_prev;
SPI_OptionsPtr spot;
SPI_RegionInfoPtr srip = NULL;
SPI_RegionInfoPtr srip_head;
SPI_RegionInfoPtr srip_prev;
CharPtr str;
CharPtr txt;
ID1BioseqFetchEnable("spidey", FALSE);
LocalSeqFetchInit(FALSE);
/* standard setup */
ErrSetFatalLevel (SEV_MAX);
ErrClearOptFlags (EO_SHOW_USERSTR);
UseLocalAsnloadDataAndErrMsg ();
ErrPathReset ();
if (! AllObjLoad ())
{
Message (MSG_FATAL, "AllObjLoad failed");
return 1;
}
if (! SubmitAsnLoad ())
{
Message (MSG_FATAL, "SubmitAsnLoad failed");
return 1;
}
if (! FeatDefSetLoad ())
{
Message (MSG_FATAL, "FeatDefSetLoad failed");
return 1;
}
if (! SeqCodeSetLoad ())
{
Message (MSG_FATAL, "SeqCodeSetLoad failed");
return 1;
}
if (! GeneticCodeTableLoad ())
{
Message (MSG_FATAL, "GeneticCodeTableLoad failed");
return 1;
}
if (!GetArgs("SPIDEY", NUMARGS, myargs))
return 0;
/* set the error message level high to suppress warnings from BLAST */
isGIlist = (Boolean)myargs[MYARGGILIST].intvalue;
txt = myargs[MYARGGENFILE].strvalue;
ifp = FileOpen(txt, "r");
spig_head = NULL;
if (ifp == NULL)
{
bsp = SPI_GetBspFromGIOrAcc(txt);
if (bsp == NULL)
{
ErrPostEx(SEV_ERROR, 0, 0, "Can't open genomic input file\n");
return -1;
} else
{
spig_head = (SPI_bsinfoPtr)MemNew(sizeof(SPI_bsinfo));
spig_head->bsp = bsp;
}
}
if (spig_head == NULL)
{
spig_prev = NULL;
/* read in the genomic sequence(s) first and put them into bsinfo structures */
while ((dataptr = ReadAsnFastaOrFlatFile (ifp, &datatype, NULL, FALSE, FALSE, TRUE, FALSE)) != NULL)
{
if (datatype == OBJ_BIOSEQ)
{
spig = (SPI_bsinfoPtr)MemNew(sizeof(SPI_bsinfo));
spig->bsp = (BioseqPtr)dataptr;
if (spig_head == NULL)
spig_head = spig_prev = spig;
else
{
spig_prev->next = spig;
spig_prev = spig;
}
} else if (datatype == OBJ_SEQENTRY)
{
sep = (SeqEntryPtr)dataptr;
SeqEntryExplore(sep, &spig_head, SPI_FindAllNuc);
}
}
FileClose(ifp);
}
if (spig_head == NULL)
{
ErrPostEx(SEV_ERROR, 0, 0, "No valid bioseqs in genomic file\n");
return -1;
} else if (ISA_aa(spig_head->bsp->mol))
{
ErrPostEx(SEV_ERROR, 0, 0, "At least one of the genomic sequences appears to be a protein.\n");
return -1;
}
if (spig_head->next != NULL)
{
ErrPostEx(SEV_ERROR, 0, 0, "This version can only process one genomic sequence at a time. Only the first sequence in this file will be used.\n");
spig_head->next = NULL;
}
spim_head = spim_prev = NULL;
txt = myargs[MYARGMRNAFILE].strvalue;
ifp = FileOpen(txt, "r");
if (ifp == NULL)
{
bsp = SPI_GetBspFromGIOrAcc(txt);
if (bsp == NULL)
{
ErrPostEx(SEV_ERROR, 0, 0, "Can't open mRNA input file\n");
return -1;
} else
{
spim_head = (SPI_bsinfoPtr)MemNew(sizeof(SPI_bsinfo));
spim_head->bsp = bsp;
}
}
if (spim_head == NULL)
{
lowercase = (Boolean)myargs[MYARGMASKED].intvalue;
lcaseloc = NULL;
/* if the mRNA has lowercase masking, read it in carefully to record the masking */
if (lowercase == TRUE)
{
while ((sep = FastaToSeqEntryForDb(ifp, TRUE, NULL, TRUE, NULL, NULL, &lcaseloc)) != NULL)
{
SeqEntryExplore(sep, &spim_head, SPI_FindAllNuc);
if (lcaseloc != NULL) /* put masking info into the bsinfo structure */
{
spim = spim_head;
sip = SeqLocId(lcaseloc);
found = FALSE;
while (spim != NULL && !found)
{
if (SeqIdComp(sip, spim->bsp->id) == SIC_YES)
{
found = TRUE;
spim->lcaseloc = lcaseloc;
}
spim = spim->next;
}
lcaseloc = NULL;
}
}
} else if (isGIlist) /* mRNA file is a list of GIs, must fetch the bioseqs */
{
str = ReadALine(line, sizeof(line), ifp);
while (str != NULL)
{
bsp = SPI_GetBspFromGIOrAcc(str);
if (bsp != NULL)
{
spim = (SPI_bsinfoPtr)MemNew(sizeof(SPI_bsinfo));
spim->bsp = bsp;
if (spim_head == NULL)
spim_head = spim_prev = spim;
else
{
spim_prev->next = spim;
spim_prev = spim;
}
}
str = ReadALine(line, sizeof(line), ifp);
}
} else /* mRNAs are FASTA or ASN.1, read them all in */
{
while ((dataptr = ReadAsnFastaOrFlatFile (ifp, &datatype, NULL, FALSE, FALSE, TRUE, FALSE)) != NULL)
{
if (datatype == OBJ_BIOSEQ)
{
spim = (SPI_bsinfoPtr)MemNew(sizeof(SPI_bsinfo));
spim->bsp = (BioseqPtr)dataptr;
if (spim_head == NULL)
spim_head = spim_prev = spim;
else
{
spim_prev->next = spim;
spim_prev = spim;
}
} else if (datatype == OBJ_SEQENTRY)
{
sep = (SeqEntryPtr)dataptr;
SeqEntryExplore(sep, &spim_head, SPI_FindAllNuc);
}
}
}
FileClose(ifp);
}
if (spim_head == NULL)
{
ErrPostEx(SEV_ERROR, 0, 0, "No valid bioseqs in mRNA file\n");
return -1;
} else if (ISA_aa(spim_head->bsp->mol))
{
ErrPostEx(SEV_ERROR, 0, 0, "At least one of the mRNA sequences appears to be a protein\n");
return -1;
}
txt = myargs[MYARGTABLE].strvalue;
if (txt != NULL)
{
ifp = FileOpen(txt, "r");
if (ifp == NULL)
{
ErrPostEx(SEV_ERROR, 0, 0, "Unable to open table file\n");
return -1;
}
SPI_ReadFeatureTable(ifp, spim_head);
spim = spim_head;
while (spim != NULL)
{
if (spim->lcaseloc != NULL)
{
slp = (SeqLocPtr)ValNodeNew(NULL);
slp->choice = SEQLOC_MIX;
slp->data.ptrvalue = (Pointer)spim->lcaseloc;
spim->lcaseloc = slp;
}
spim = spim->next;
}
}
spim = spim_head;
spot = (SPI_OptionsPtr)MemNew(sizeof(SPI_Options));
spot->printaln = myargs[MYARGPRALIGN].intvalue;
txt = myargs[MYARGOUTFILE].strvalue;
ofp = FileOpen(txt, "w");
if (ofp == NULL && spot->printaln != 3)
{
ErrPostEx(SEV_ERROR, 0, 0, "Unable to open output file\n");
return -1;
}
if (spot->printaln >= 2)
{
txt = myargs[MYARGALNFILE].strvalue;
ofp2 = FileOpen(txt, "a");
if (ofp2 == NULL)
{
ErrPostEx(SEV_ERROR, 0, 0, "Unable to open output file 2\n");
return -1;
}
} else
ofp2 = NULL;
/** ErrSetMessageLevel(SEV_MAX); **/
spot->firstpasseval = myargs[MYARG1STEVAL].floatvalue;
spot->secpasseval = myargs[MYARG2NDEVAL].floatvalue;
spot->thirdpasseval = myargs[MYARG3RDEVAL].floatvalue;
spot->numreturns = myargs[MYARGNUMMOD].intvalue;
spot->idcutoff = myargs[MYARGIDCUT].intvalue;
spot->lencutoff = myargs[MYARGLENCUT].intvalue;
spot->interspecies = (Boolean)myargs[MYARGSPEC].intvalue;
spot->printasn = (Boolean)myargs[MYARGASN].intvalue;
spot->fetchcds = (Boolean)myargs[MYARGGETCDS].intvalue;
/*spot->ace = (Boolean)myargs[MYARGACEDB].intvalue;*/
spot->from = myargs[MYARGFROM].intvalue;
spot->to = myargs[MYARGTO].intvalue;
spot->makemult = (Boolean)myargs[MYARGMULT].intvalue;
/*KSK*/
spot->bigintron = (Boolean)myargs[MYARGXL].intvalue;
spot->bigintron_size = myargs[MYARGXL_SIZE].intvalue;
spot->repeat_db_file = myargs[MYARGREPDB].strvalue;
txt = myargs[MYARGORG].strvalue;
if (!StringICmp(txt, "d") || !StringICmp(txt, "D")){
spot->organism = SPI_FLY;
}
else if (!StringICmp(txt, "p") || !StringICmp(txt, "P")){
spot->organism = SPI_PLANT;
}
else if (!StringICmp(txt, "c") || !StringICmp(txt, "C")){
spot->organism = SPI_CELEGANS;
}
else if (!StringICmp(txt, "m") || !StringICmp(txt, "M")){
spot->organism = SPI_DICTY;
}
else {
spot->organism = SPI_VERTEBRATE;
}
sap = NULL;
if (spot->printasn)
spot->sap_head = &sap;
txt = myargs[MYARGSTRAND].strvalue;
if (txt != NULL)
{
if (StrChr(txt, 'p') || StrChr(txt, 'P'))
spot->strand = Seq_strand_plus;
else
spot->strand = Seq_strand_minus;
} else
spot->strand = Seq_strand_both;
/*txt = myargs[MYARGDRAFTFILE].strvalue;
if (txt != NULL)
spot->draftfile = StringSave(txt);*/
txt = myargs[MYARGDSPLICE].strvalue;
if (txt != NULL)
{
sfp = FileOpen(txt, "r");
SPI_GetSpliceInfo(spot, sfp, TRUE);
FileClose(sfp);
}
txt = myargs[MYARGASPLICE].strvalue;
if (txt != NULL)
{
sfp = FileOpen(txt, "r");
SPI_GetSpliceInfo(spot, sfp, FALSE);
FileClose(sfp);
}
h_head = h_prev = NULL;
srip_head = srip_prev = NULL;
while (spim != NULL)
{
spot->lcaseloc = spim->lcaseloc;
if (spot->draftfile == NULL)
srip = SPI_AlnSinglemRNAToGen(spig_head, spim, ofp, ofp2, spot);
else
{
hptr = SPI_AlnSinglemRNAToPieces(spig_head, spim, ofp, ofp2, spot);
if (h_head != NULL)
{
h_prev->next = hptr;
h_prev = hptr;
} else
h_head = h_prev = hptr;
}
if (srip != NULL)
{
if (srip_head != NULL)
{
srip_prev->next = srip;
srip_prev = srip;
} else
srip_head = srip_prev = srip;
}
spim = spim->next;
}
if (spot->makemult)
{
SPI_MakeMultipleAlignment(srip_head);
SPI_PrintMultipleAlignment(srip_head, FALSE, spig_head->bsp, ofp);
SPI_RegionListFree(srip_head);
} else
SPI_RegionListFree(srip_head);
/* create the ASN.1 output, if requested; need to use the continuous alignment */
/* that was generated */
if (spot->printasn && *(spot->sap_head) != NULL && spot->draftfile == NULL)
{
sanp = SeqAnnotForSeqAlign(*(spot->sap_head));
txt = myargs[MYARGASNFILE].strvalue;
aip = AsnIoOpen(txt, "w");
SeqAnnotAsnWrite(sanp, aip, NULL);
AsnIoClose(aip);
SeqAlignSetFree(*(spot->sap_head));
}
FileClose(ofp);
FileClose(ofp2);
SPI_OptionsFree(spot);
SPI_bsinfoFreeList(spim_head);
SPI_bsinfoFreeList(spig_head);
LocalSeqFetchDisable();
ID1BioseqFetchDisable();
return 0;
}
static void CcpProc (ButtoN b)
{
Boolean flagHaveNet;
SeqEntryPtr sep;
Int4 i, gi;
CharPtr fastafile;
FILE *fiop;
CharPtr title;
GatherScopePtr gsp;
XOSPtr xosp;
XISPtr xisp;
FloatHi minscore, maxscore;
FloatHiPtr pcs, pccscr;
SeqGraphPtr sgp;
WindoW w;
PaneL p;
if ((xosp = (XOSPtr) GetObjectExtra (b)) == NULL)
return;
if (ReadPccData (xosp->pccp) == 0)
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 101,
"Could not open or read %s data file", xosp->pccp->pccdatafile);
ErrShow ();
return;
}
gsp = xosp->gsp;
gi = xosp->gi;
fastafile = xosp->filename;
if (gi > 0)
{
if (!EntrezInit ("ccpv", FALSE, &flagHaveNet))
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 102,
"Entrez init failed");
ErrShow ();
xosp->pccp->res = (CharPtr) MemFree (xosp->pccp->res);
return;
}
}
if (gi > 0)
{
sep = EntrezSeqEntryGet (gi, SEQENTRY_READ_BIOSEQ);
}
else if (fastafile != NULL)
{
if ((fiop = FileOpen (fastafile, "r")) == NULL)
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 103,
"Failed to open FastA file");
ErrShow ();
xosp->pccp->res = (CharPtr) MemFree (xosp->pccp->res);
return;
}
sep = FastaToSeqEntry (fiop, FALSE);
}
else
{
sep = NULL;
}
if (sep == NULL)
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 104,
"No seqentry");
ErrShow ();
xosp->pccp->res = (CharPtr) MemFree (xosp->pccp->res);
return;
}
else
{
xosp->sep = sep;
xosp->bsp = NULL;
xosp->gi = gi;
GatherSeqEntry (sep, (Pointer) xosp, GetBioseq,
(Pointer) gsp);
if (xosp->bsp != NULL)
{
if (ISA_aa (xosp->bsp->mol))
{
pcs = pccscr = PredictCCBioseq (xosp->bsp, 0, xosp->bsp->length-1,
xosp->pccp);
xosp->pccp->res = (CharPtr) MemFree (xosp->pccp->res);
if (pccscr == NULL)
{
return;
}
for (i = 0; i < xosp->bsp->length; i++)
{
*pcs *= 100.0;
pcs++;
}
minscore = 0.0;
maxscore = 100.0;
title = FastaTitle (xosp->bsp, "CCP: >", NULL);
if ((sgp = SeqGraphNew ()) == NULL)
{
MemFree (pccscr);
MemFree (title);
return;
}
xisp = MemNew (sizeof (XIS));
xisp->sgp = sgp;
xisp->Xscale = 1;
xisp->Yscale = 1;
xisp->Xaxislen = 250;
xisp->Yaxislen = 100;
xisp->Xprelen = 0;
xisp->Yprelen = 50;
xisp->Xpostlen = 50;
xisp->Ypostlen = 50;
sgp->loc = SeqLocIntNew (0, xosp->bsp->length-1, xosp->bsp->strand,
xosp->bsp->id);
sgp->title = title;
sgp->flags[2] = 1;
sgp->numval = xosp->bsp->length;
sgp->max.realvalue = maxscore;
sgp->min.realvalue = minscore;
sgp->values = (Pointer) pccscr;
w = FixedWindow (-50, -50, -10, -10, "Ccp", CloseGraphWindowProc);
SetObjectExtra (w, xisp, NULL);
p = SimplePanel (w,
(Int2) (xisp->Xprelen+xisp->Xaxislen+xisp->Xpostlen),
(Int2) (xisp->Yprelen+xisp->Yaxislen+xisp->Ypostlen),
DrawGraph);
SetPanelClick (p, NULL, NULL, NULL, CloseGraphPanelProc);
RealizeWindow (w);
Show (w);
}
else
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 101, "Not an amino acid Bioseq");
ErrShow ();
}
}
else
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 101, "No Bioseq in SeqEntry");
ErrShow ();
}
xosp->sep = sep = SeqEntryFree (sep);
}
if (gi > 0)
EntrezFini ();
else
FileClose (fiop);
return;
}
Int2 Main (void)
{
Int2 argcount;
Boolean flagHaveNet;
Int4 gi;
SeqEntryPtr sep;
ComPatPtr cpp, cpph = NULL;
SeqAlignPtr sap, sapn;
StdSegPtr ssp;
SeqLocPtr slp, slpn;
Int4 start, stop;
FILE *fiop;
Char fastafile[256], namesfile[256];
CharPtr title;
CharPtr taxon;
FloatHi mw;
ValNodePtr namelist = NULL;
static CharPtr pattern_file = "ncbipros.dat";
static CharPtr protease_file = "ncbiendo.dat";
static CharPtr names_file = "ncbipnam.dat";
static GatherScope gs;
GatherScopePtr gsp;
static Gather_PBS gpbs;
Gather_PBSPtr gpbsp;
#ifndef NO_TAX_NET
Int4 i;
static Char taxdata[8];
static Gather_TaxId gti;
Gather_TaxIdPtr gtip;
#endif
#ifndef NO_TAX_NET
Int2 ia=4, ib=5, ic=6, id=7, ie=8, ig=9, ih=10, ii=11;
#else
Int2 ib=4, ic=5, id=6, ie=7, ig=8, ih=9, ii=10;
#endif
argcount = sizeof (myargs) / sizeof (Args);
if (!GetArgs ("ProSiteSearch", argcount, myargs))
return 1;
if (myargs[0].intvalue == 0 && myargs[1].strvalue == NULL)
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 100,
"No gi or FastA file given :: for help : srchaa -");
ErrShow ();
exit (1);
}
gsp = &gs;
#ifndef NO_TAX_NET
gtip = >i;
#endif
gpbsp = &gpbs;
MemSet ((Pointer) gsp, 0, sizeof (GatherScope));
MemSet ((Pointer) gsp->ignore, (int) (TRUE),
(size_t) (OBJ_MAX * sizeof (Boolean)));
gsp->ignore[OBJ_SEQDESC] = TRUE;
gsp->ignore[OBJ_BIOSEQ] = FALSE;
gpbsp->bsp = NULL;
gi = myargs[0].intvalue;
if (myargs[1].strvalue != NULL)
StrCpy (fastafile, myargs[1].strvalue);
else
fastafile[0] = '\0';
if (gi > 0)
{
if (!EntrezInit ("srchaa", FALSE, &flagHaveNet))
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 102,
"Entrez init failed");
ErrShow ();
exit (1);
}
}
#ifndef NO_TAX_NET
if (myargs[ia].intvalue)
{
if (!TaxArchInit ())
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 103,
"Taxonomy init failed");
ErrShow ();
exit (1);
}
}
#endif
fiop = NULL;
if (gi > 0)
{
sep = EntrezSeqEntryGet (gi, SEQENTRY_READ_BIOSEQ);
}
else
{
if ((fiop = FileOpen (fastafile, "r")) == NULL)
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 103,
"Failed to open FastA file: %s", fastafile);
ErrShow ();
exit (1);
}
sep = FastaToSeqEntry (fiop, FALSE);
}
if (sep == NULL)
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 104,
"No seqentry found");
ErrShow ();
exit (1);
}
while (sep != NULL)
{
gsp->ignore[OBJ_SEQDESC] = TRUE;
gsp->ignore[OBJ_BIOSEQ] = FALSE;
gpbsp->bsp = NULL;
gpbsp->gi = gi;
GatherSeqEntry (sep, (Pointer) gpbsp, GetBioseq, (Pointer) gsp);
taxon = NULL;
#ifndef NO_TAX_NET
if (myargs[ia].intvalue)
{
for (i = 0; i < 8; i++)
taxdata[i] = '-';
taxon = taxdata;
gsp->ignore[OBJ_SEQDESC] = FALSE;
gsp->ignore[OBJ_BIOSEQ] = TRUE;
gtip->taxid = 0;
GatherSeqEntry (sep, (Pointer) gtip, GetTaxId, (Pointer) gsp);
if (gtip->taxid != 0)
WhatOrg (gtip->taxid, taxon);
else
taxon = NULL;
}
#endif
if (gpbsp->bsp != NULL)
{
if (ISA_aa (gpbsp->bsp->mol))
{
if (cpph == NULL)
{
namesfile[0] = '\0';
if (myargs[id].intvalue)
StrCpy (namesfile, names_file);
if (myargs[ie].strvalue != NULL)
StrCpy (namesfile, myargs[ie].strvalue);
if (myargs[ig].strvalue != NULL)
{
if ((cpph = CompilePattern (myargs[ig].strvalue, 1)) != NULL)
StrCpy (cpph->name, "User Pattern");
}
else
{
namelist = ReadPatternNames (namesfile);
if (myargs[ib].intvalue)
cpph = ReadPrositePattern (protease_file,
(Boolean) myargs[2].intvalue,
myargs[3].intvalue,
taxon, NULL);
else
cpph = ReadPrositePattern (pattern_file,
(Boolean) myargs[2].intvalue,
myargs[3].intvalue,
taxon, namelist);
}
}
if (!(Boolean) myargs[ih].intvalue)
{
title = FastaTitle (gpbsp->bsp, ">", NULL);
printf ("%s\n", title);
MemFree (title);
}
cpp = cpph;
while (cpp != NULL)
{
sap = PatternMatchBioseq (gpbsp->bsp, cpp,
(Int4)myargs[ii].intvalue);
if (myargs[ib].intvalue)
{
printf (">%s\n", cpp->name);
if (sap != NULL)
printf (" Start Stop M.W.\n");
}
if (myargs[ib].intvalue)
{
EmbedMolecularWeightInfo (sap, gpbsp->bsp);
if (myargs[ic].intvalue)
URK_SeqAlignSortByMolWt (&sap);
while (sap != NULL)
{
ssp = (StdSegPtr) sap->segs;
slp = ssp->loc;
start = SeqLocStart (slp);
stop = SeqLocStop (slp);
mw = ssp->scores->value.realvalue;
printf ("%8ld %8ld %9.2f\n",
(long) start+1, (long) stop+1, mw);
sapn = sap->next;
SeqAlignFree (sap);
sap = sapn;
}
}
else
{
slp = MatchSa2Sl (&sap);
if (myargs[ih].intvalue && slp != NULL)
{
title = FastaTitle (gpbsp->bsp, ">", NULL);
printf ("%s\n", title);
MemFree (title);
}
while (slp != NULL)
{
start = SeqLocStart (slp);
stop = SeqLocStop (slp);
printf ("%8ld %8ld %s\n",
(long) start+1, (long) stop+1, cpp->name);
slpn = slp->next;
SeqLocFree (slp);
slp = slpn;
}
}
cpp = cpp->nextpattern;
}
}
else
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 106,
"Not a protein bioseq");
ErrShow ();
exit (1);
}
}
else
{
ErrPostEx (SEV_ERROR, TOP_ERROR, 105,
"No bioseq found");
ErrShow ();
exit (1);
}
SeqEntryFree (sep);
sep = NULL;
if (fiop != NULL)
sep = FastaToSeqEntry (fiop, FALSE);
}
ComPatFree (cpph);
ValNodeFreeData (namelist);
FileClose (fiop);
if (gi > 0)
EntrezFini ();
#ifndef NO_TAX_NET
if (myargs[ia].intvalue)
TaxArchFini ();
#endif
return 0;
}
static void VSMExportFeatureTableBioseqCallback (BioseqPtr bsp, Pointer userdata)
{
FeatureTablePtr ftp;
CstType custom_flags = 0;
Asn2gbJobPtr ajp;
BaseBlockPtr bbp;
XtraBlock extra;
Int4 index;
CharPtr string;
if (bsp == NULL || userdata == NULL) return;
ftp = (FeatureTablePtr) userdata;
if (ftp->fp == NULL) return;
if (!ftp->show_nucs && ISA_na (bsp->mol))
{
return;
}
if (!ftp->show_prots && ISA_aa (bsp->mol))
{
return;
}
if (ftp->hide_sources)
{
custom_flags |= HIDE_SOURCE_FEATS;
}
MemSet ((Pointer) &extra, 0, sizeof (XtraBlock));
ajp = asn2gnbk_setup (bsp, NULL, NULL, FTABLE_FMT, DUMP_MODE, NORMAL_STYLE,
0, 0, custom_flags, &extra);
if (ftp->export_only_selected
&& ! BioseqHasSelectedFeatures (ajp, ftp->hide_sources))
{
/* nothing to export */
}
else if (ajp != NULL)
{
for (index = 0; index < ajp->numParagraphs; index++)
{
bbp = ajp->paragraphArray [index];
if (bbp->blocktype == FEATURE_BLOCK)
{
if (!ftp->export_only_selected || IsBaseBlockFeatureSelected (bbp))
{
string = asn2gnbk_format (ajp, (Int4) index);
if (ftp->suppress_protein_ids)
{
ExciseProteinIDLine (string);
}
fprintf (ftp->fp, "%s", string);
MemFree (string);
}
}
else if (bbp->blocktype == SOURCEFEAT_BLOCK)
{
if (!ftp->hide_sources
&& (!ftp->export_only_selected || IsBaseBlockFeatureSelected (bbp)))
{
string = asn2gnbk_format (ajp, (Int4) index);
fprintf (ftp->fp, "%s", string);
MemFree (string);
}
}
else
{
string = asn2gnbk_format (ajp, (Int4) index);
fprintf (ftp->fp, "%s", string);
MemFree (string);
}
}
}
asn2gnbk_cleanup (ajp);
}