Re: [PyMOL] post-processing of pdb ensemble

2016-05-25 Thread James Starlight
More precisely I would like to know how to script in pymol the following alteration fo the chains for the multi-chain pdb PyMOL>alter (bound_combined and chain B), chain="A" Alter: modified 5157 atoms. PyMOL>alter (bound_combined and chain C), chain="B" Alter: modified 2285 atoms. PyMOL>alter (

Re: [PyMOL] post-processing of pdb ensemble

2016-05-25 Thread Tsjerk Wassenaar
Hi James, This should do: for i in range(65:78): cmd.alter("bound_combined and chain %s"%chr(i+1),'chain="%s"'%chr(i)) Cheers, Tsjerk On Wed, May 25, 2016 at 5:00 PM, James Starlight wrote: > More precisely I would like to know how to script in pymol the > following alteration fo the chains

Re: [PyMOL] post-processing of pdb ensemble

2016-05-25 Thread Thomas Holder
or simply: alter bound_combined, chain = chr(ord(chain) - 1) Cheers, Thomas On 25 May 2016, at 11:06, Tsjerk Wassenaar wrote: > Hi James, > > This should do: > > for i in range(65:78): cmd.alter("bound_combined and chain > %s"%chr(i+1),'chain="%s"'%chr(i)) > > Cheers, > > Tsjerk > > >

Re: [PyMOL] post-processing of pdb ensemble

2016-05-25 Thread Tsjerk Wassenaar
... of course 8-o :p T. On May 25, 2016 18:32, "Thomas Holder" wrote: > or simply: > > alter bound_combined, chain = chr(ord(chain) - 1) > > Cheers, > Thomas > > On 25 May 2016, at 11:06, Tsjerk Wassenaar wrote: > > > Hi James, > > > > This should do: > > > > for i in range(65:78): cmd.alter