Re: [Open Babel] gen3d doesn't convert all compounds

Yes. Sundar Thangapandian > On Oct 13, 2017, at 3:08 PM, David Hall wrote: > > I assume your second command is actually using output2D.sdf as input? > > -David > >> On Oct 13, 2017, at 3:46 PM, Sundar wrote: >> >> Sure. >> Here it goes. >> >> obabel input.smi -h -r -b -c --unique --gen2d

Re: [Open Babel] building openbabel with no root access

I found the respective section and it worked all well. Thanks Jubilant > On Oct 16, 2017, at 2:02 PM, Dimitri Maziuk wrote: > >> On 10/16/2017 01:50 PM, Noel O'Boyle wrote: >> Have you read the section in the docs that describes how to do that? > > I suspect the issue that if gcc and all req

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