Re: [Open Babel] 2D or 3D

2020-03-07 Thread Amanda Loshbaugh
What kind of file? Can you open it in a text editor and see if it contains geometric coordinates? Or do you need an automated process? On Fri, Mar 6, 2020, 10:16 PM Chris Swain via OpenBabel-discuss < openbabel-discuss@lists.sourceforge.net> wrote: > Hi, > > Is there a way to tell, using the com

Re: [Open Babel] How to deal with .mol2 files?

2020-03-24 Thread Amanda Loshbaugh
If you would like to *view* the structure in 3D, you can open mol2 files in PyMOL. Amanda Loshbaugh, PhD Scientist I, Protein and Cell Engineering Lyell Immunopharma aloshba...@lyell.com Pronouns: she/her On Tue, Mar 24, 2020 at 11:55 AM Rudy Richardson wrote: > Hi Peng, > >