Re: Get mol2 file from obminimize

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Re: Get mol2 file from obminimize

Izhar Wallach
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

        format_out = conv.FindFormat(oext);


> But the terminal output geometry from obminimize is always in PDB
> format, isn't it?!

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