Dear PyMOL List I'm frequently using the PyMOL mutagenesis wizard. Consider the mutation of tryptophan to phenylalanin. If the sidechain is mutated from W to F, its reasonable to assume that the plane of the phenyl moiety of F would/should/could/might lie in the same plane as the indol part of the W if there was such a protein. Would it be possible to scriptically adjust the F side chain, after mutation, such that it lies in the W plane? Of course, this becomes ambiguous when, say, a A is mutated to a D, because what would then be the reference for the D side chain? However, N to D would be another case, where it would be desired to have the D end group be in as much overlay with the former N end group as possible.
Any ideas on how this might be afforded? Probably not a one-liner though. Kind regards Martin ------------------------------------------------------------------------------ Cloud Services Checklist: Pricing and Packaging Optimization This white paper is intended to serve as a reference, checklist and point of discussion for anyone considering optimizing the pricing and packaging model of a cloud services business. Read Now! http://www.accelacomm.com/jaw/sfnl/114/51491232/ _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
