[chimerax-users] chimerax python module - LigParGen tutorial

mdigennaro at uliege.be mdigennaro at uliege.be
Wed Apr 7 00:30:15 PDT 2021


Dear ChimeraX users,

I am trying to follow this tutorial to get the proper residues:
http://zarbi.chem.yale.edu/ligpargen/gmx_tutorial.html

I have found chimera (0.4.7) as pip module, but it's written in python2 and therefore no longer maintained.
Is there a chimerax module I can import?
Pychimera is also available and could install it with python2, but it also show compatibility problems with python3
Is DockPrep a separate module?

I have found this thread on the chimera forum which doesn't really answer the question:
http://plato.cgl.ucsf.edu/pipermail/chimera-users/2014-July/010115.html

Generally, how do I get unknown/custom residues (from LigParGen in this case) for Gromacs input files.

Thank you for your support

Marco

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Marco Di Gennaro
University of Liege


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