Changes between Version 20 and Version 21 of Scripts


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Timestamp:
Nov 11, 2009, 12:08:19 PM (17 years ago)
Author:
pett
Comment:

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  • Scripts

    v20 v21  
    1818 * [attachment:esp.py esp.py]. Coulombic-ly color all open molecular surfaces. Tested with Chimera 1.4 daily build September 1, 2009 using PDB 3fx2.
    1919 * [attachment:selLys.py selLys.py]. Select lysine NZ atoms within 8 angstroms of another lysine NZ and put distance monitors between them.  Difficult to do with normal selection language because of no way to exclude the base atoms of a zone selection from the zone test.  Tested with Chimera 1.4 daily build September 21, 2009 using PDB 1www.
     20 * [attachment:disulphide.py disulphide.py]. Create disulphide bonds between unprotonated CYS SG atoms that are not already disulphide bonded and that meet reasonable bond-distance criteria.  Tested with Chimera 1.4 daily build November 11, 2009 using PDB 1gc1.