Hi Mario, Incentive PyMOL 2.x includes regular APBS and PDB2QPR. You should be able to manually edit the files there as well. For example with PyMOL 2.4.0 on Linux, the AMBER force field data files can be found like this:
$ find . -name "AMBER.*" ./lib/python3.7/site-packages/src/dat/AMBER.names ./lib/python3.7/site-packages/src/dat/AMBER.DAT Hope that helps. Cheers, Thomas > On Jun 14, 2020, at 6:35 PM, Mario Garcia Urena <ma...@cmcassist.dk> wrote: > > Hi all, > > I was trying to generate dipole moments with pymol using the APBS plugin. For > proteins I adapted a code and the dipole moments are correct and work just > fine, but for sugars it does not. I am well aware that the problem is that > many of the residues are not present in the AMBER force field data (or the > force field I want to use.) In APBS it is relatively easy to adapt and > introduce the sugars’ information manually, however in the APBS plugin for > pymol gets a little bit thorny. I cannot seem to find the files where I > should store the sugar information. Has anybody done this before? Any > alternatives with other programs or approaches are also welcome. > > Thank you in advance, > > Mario > _______________________________________________ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe -- Thomas Holder PyMOL Principal Developer Schrödinger, Inc. _______________________________________________ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
