Re: [Open Babel] MM3 atom typing

Here you go: https://openbabel.org/docs/dev/FileFormats/Overview.html On 18 May 2017 at 09:22, Jan Halborg Jensen wrote: > Hi all > > Can anyone tell me how to use the -3 keyword to get MM3 atom types? > https://openbabel.org/docs/dev/FileFormats/Tinker_XYZ_format.html > > For example > > babel -

[Open Babel] MM3 atom typing

Hi all Can anyone tell me how to use the -3 keyword to get MM3 atom types? https://openbabel.org/docs/dev/FileFormats/Tinker_XYZ_format.html For example babel -isdf aceticacid.sdf -otxyz aceticacidmm3.txyz -3 babel -isdf aceticacid.sdf -otxyz -3 aceticacidmm3.txyz doesn’t seem to work, i.e. it