Re: [Open Babel] obminimize outputs only in pdb (multimolecule pdb)

Hi Geoff, When I tried to convert a multimolecule pdb file (output from obminimize) to an sdf file, only the first molecule was converted. I wrote my own script to split the file into multiple pdbs and put them together as single sdf using obabel. But any solution using obabel to that in single st

Re: [Open Babel] obminimize outputs only in pdb (multimolecule pdb)

Thanks. I will try that. Sundar Thangapandian > On Oct 19, 2017, at 6:40 PM, Geoffrey Hutchison > wrote: > > The obminimize program does not have all the features of the obabel command. > You can naturally convert a PDB file to SDF: > > obabel file.pdb -O file.sdf > >> I tried -osdf filenam

Re: [Open Babel] obminimize outputs only in pdb (multimolecule pdb)

The obminimize program does not have all the features of the obabel command. You can naturally convert a PDB file to SDF: obabel file.pdb -O file.sdf > I tried -osdf filename.sdf and it didn't work. How can I get it in sdf format? > Or how can I convert multimolecule pdb file to an sdf file? Yo

[Open Babel] obminimize outputs only in pdb (multimolecule pdb)

Hi, obminimize outputs only in pdb format. I tried -osdf filename.sdf and it didn't work. How can I get it in sdf format? Or how can I convert multimolecule pdb file to an sdf file? Thanks, Sundar -- Check out the vibrant