It seems there is a hidden flag for that. Use -o filename.mol2 to get the
output in a different format.
It is just not mentioned in the usage output for some reason...
>From obminimize.ccp:
...
if (strncmp(option.c_str(), "-o", 2) == 0) {
oext = argv[i] + 2;
if(!*oext) {
oext = argv[++i]; //space left after -o: use next argument
ifile++;
}
format_out = conv.FindFormat(oext);
ifile++;
}
...
-
Izhar
> But the terminal output geometry from obminimize is always in PDB
> format, isn't it?!
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