Re: [PyMOL] set_dihedral command

2006-11-14 Thread DeLano Scientific
; Of Abhinav Verma > Sent: Tuesday, November 14, 2006 6:07 AM > To: Chris Weichenberger; pymol-users@lists.sourceforge.net > Subject: Re: [PyMOL] set_dihedral command > > 1CRN for example has disulphide bonds which are covalant and > thats why set_dihedral does not work. I think its

Re: [PyMOL] set_dihedral command

2006-11-14 Thread Abhinav Verma
1CRN for example has disulphide bonds which are covalant and thats why set_dihedral does not work. I think its the bug, which tells you that it has been setted to zero. So you have to remove the disulphide bonds before setting the dihedral angles. you can do so by unbond r. cys and n. sg, r. cys

[PyMOL] set_dihedral command

2006-11-13 Thread Chris Weichenberger
Dear PyMol users, I am trying to set dihedral angles in a protein. Unfortunately, the set_dihedral command is not documented, but it looks like it is the same as the get_dihedral with an additional value for the angle to set. I tried to set the dihedral angle for the protein crambin (PDB cod