void xvgr_legend(FILE *out, int nsets, const char** setname,
const output_env_t oenv)
{
int i;
char buf[STRLEN];
if (output_env_get_print_xvgr_codes(oenv))
{
xvgr_view(out, 0.15, 0.15, 0.75, 0.85, oenv);
fprintf(out, "@ legend on\n");
fprintf(out, "@ legend box on\n");
fprintf(out, "@ legend loctype view\n");
fprintf(out, "@ legend %g, %g\n", 0.78, 0.8);
fprintf(out, "@ legend length %d\n", 2);
for (i = 0; (i < nsets); i++)
{
if (setname[i])
{
if (output_env_get_xvg_format(oenv) == exvgXMGR)
{
fprintf(out, "@ legend string %d \"%s\"\n",
i, xvgrstr(setname[i], oenv, buf, STRLEN));
}
else
{
fprintf(out, "@ s%d legend \"%s\"\n",
i, xvgrstr(setname[i], oenv, buf, STRLEN));
}
}
}
}
}
int gmx_rama(int argc,char *argv[])
{
const char *desc[] = {
"[TT]g_rama[tt] selects the [GRK]phi[grk]/[GRK]psi[grk] dihedral combinations from your topology file",
"and computes these as a function of time.",
"Using simple Unix tools such as [IT]grep[it] you can select out",
"specific residues."
};
FILE *out;
t_xrama *xr;
int j;
output_env_t oenv;
t_filenm fnm[] = {
{ efTRX, "-f", NULL, ffREAD },
{ efTPX, NULL, NULL, ffREAD },
{ efXVG, NULL, "rama",ffWRITE }
};
#define NFILE asize(fnm)
parse_common_args(&argc,argv,PCA_CAN_VIEW | PCA_CAN_TIME | PCA_BE_NICE,
NFILE,fnm,0,NULL,asize(desc),desc,0,NULL,&oenv);
snew(xr,1);
init_rama(oenv,ftp2fn(efTRX,NFILE,fnm),ftp2fn(efTPX,NFILE,fnm),xr,3);
out=xvgropen(ftp2fn(efXVG,NFILE,fnm),"Ramachandran Plot","Phi","Psi",oenv);
xvgr_line_props(out,0,elNone,ecFrank,oenv);
xvgr_view(out,0.2,0.2,0.8,0.8,oenv);
xvgr_world(out,-180,-180,180,180,oenv);
fprintf(out,"@ xaxis tick on\n@ xaxis tick major 60\n@ xaxis tick minor 30\n");
fprintf(out,"@ yaxis tick on\n@ yaxis tick major 60\n@ yaxis tick minor 30\n");
fprintf(out,"@ s0 symbol 2\n@ s0 symbol size 0.4\n@ s0 symbol fill 1\n");
j=0;
do {
plot_rama(out,xr);
j++;
} while (new_data(xr));
fprintf(stderr,"\n");
ffclose(out);
do_view(oenv,ftp2fn(efXVG,NFILE,fnm),NULL);
thanx(stderr);
return 0;
}
void xvgr_legend(FILE *out,int nsets,char *setname[])
{
int i;
xvgr_view(out,0.15,0.15,0.75,0.85);
fprintf(out,"@ legend on\n");
fprintf(out,"@ legend box on\n");
fprintf(out,"@ legend loctype view\n");
fprintf(out,"@ legend %g, %g\n",0.78,0.8);
fprintf(out,"@ legend length %d\n",2);
for(i=0; (i<nsets); i++)
if (setname[i]) {
if (use_xmgr())
fprintf(out,"@ legend string %d \"%s\"\n",i,setname[i]);
else
fprintf(out,"@ s%d legend \"%s\"\n",i,setname[i]);
}
}