From: Warren D. <wa...@de...> - 2005-10-17 20:16:30
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Michael d/l a recent build http://delsci.com/beta and use the "find"->"polar contacts" option under the objects Action "A" menu in the viewer window. Cheers, Warren -- Warren L. DeLano, Ph.D. =20 Principal Scientist . DeLano Scientific LLC =20 . 400 Oyster Point Blvd., Suite 213 =20 . South San Francisco, CA 94080 USA =20 . Biz:(650)-872-0942 Tech:(650)-872-0834 =20 . Fax:(650)-872-0273 Cell:(650)-346-1154 . mailto:wa...@de... =20 =20 > -----Original Message----- > From: pym...@li...=20 > [mailto:pym...@li...] On Behalf Of=20 > Michael Weber > Sent: Monday, October 17, 2005 5:03 AM > To: pym...@li... > Subject: [PyMOL] automated H-bond computation & visualization=20 > in pyMOL? >=20 > Hello everybody, > I am new to PyMOL and I have a short question: In pyMOL - is=20 > it possible to automatically compute and visualize H-bonds in=20 > .PDB files as it is e.g. possible in SWISS-PDB-VIEWER? Maybe=20 > there is a pyMOL script for this purpose? I need such a=20 > function for my work with catalytically active RNA molecules=20 > (e.g. PDB # 2A2E, 2A64, 1NBS, 1U9S). Would be nice if someone=20 > could help me with this problem... > =20 > All the best & thanks in advance, > Michael. >=20 |