Hi Abhinav, Try:
unbond r. cys and n. sg, r. cys and n. sg which removes all bonds present between sulphur atoms of cysteine residues. Best, Tsjerk On 10/11/06, Abhinav Verma <abhinav1...@gmail.com> wrote:
Hello, pymol finds the disulphide bonds very nicely when you load a pdb file. What I want is, to tell him not to do that. I need it for the fact that I need to set new values of dihedrals to the protein, and if there is a disulphide bond, then pymol just doesnt set the dihedrals. One way is to load the pdb file, then go to builder mode and then manually break the bond. and then execute the set dihedral command. But I wish to script it, so that I dont have to do it manually. Is there a way to do this, either putting builder commands in .pml scripts, or setting certain values, so that pymol doesnt look for sulphers. Thanks in advance, Abhi ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ PyMOL-users mailing list PyMOL-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/pymol-users
-- Tsjerk A. Wassenaar, Ph.D. Groningen Biomolecular Sciences and Biotechnology Institute (GBB) Dept. of Biophysical Chemistry University of Groningen Nijenborgh 4 9747AG Groningen, The Netherlands +31 50 363 4336
