Hi folks,
So I have no scripting skills in python but I can use pymol reasonably well.
I want to superimpose (pair_fit) 4 atoms (all the same) from a library of
conformers onto a template molecule (similar to clustering after conformational
searching). I could probably nut out how to do the pairfitting actually I could
do this easily by command line but I have > 100 molecules so I'm not sure how
to script this.
Any help would be welcome
Cheers
Joel
_________________________________
Joel Tyndall, PhD
Senior Lecturer in Medicinal Chemistry
National School of Pharmacy
University of Otago
PO Box 56 Dunedin 9054
New Zealand
Skype: jtyndall
Ph: +64 3 479 7293
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