[PyMOL] trouble with sym exp

2013-07-04 Thread Yarrow Madrona
Hello pymol users, I am trying to generate symetry related molecules for a molecule in space group P322 with one molecule in the ASU. unfortunately I get a lot of clashes with the symmetry mates and wrong contacts that just are not there when visualizing in coot. I wonder if this is a problem of

Re: [PyMOL] accurate way to change/process b-factor in PDB

2013-07-04 Thread Afonso Duarte
Hi João Thanks! it worked fine! >>Just make sure not to have 0.0 bfactors in there! true :) I normalized them by adding 1 to all. Cheers Afonso On Thu, Jul 4, 2013 at 1:13 PM, João Rodrigues wrote: > Hi Afonso, > > PyMOL allows for Python scripting so in principle you could do something >

Re: [PyMOL] accurate way to change/process b-factor in PDB

2013-07-04 Thread João Rodrigues
Hi Afonso, PyMOL allows for Python scripting so in principle you could do something like: import math alter structure, b=math.log(b, 10) Just make sure not to have 0.0 bfactors in there! Cheers, João 2013/7/4 Afonso Duarte > Dear All, > > > I have a pdb file composed by several chains wher

[PyMOL] accurate way to change/process b-factor in PDB

2013-07-04 Thread Afonso Duarte
Dear All, I have a pdb file composed by several chains where the b-factor column was replaced by a physical property of the proteins. I am now trying to color according to b-factor and to obtain a better representation of the properties described. i.e. I am interested in calculating the log of th