Re: [PyMOL] Pymol for inorganic chemists - dealing with bonds

2015-11-20 Thread Andreas Warnecke
Hej Henrique, not an inorganic chemist here, but some suggestions anyway: Metallic centers should be displayable as spheres using the *show*, or *show_as spheres* commands. The radius can be altered using: *set sphere_scale, value, selection* The bonds are more problematic. Pymol has some option

Re: [PyMOL] what is wrong on my using centroid.py

2015-11-20 Thread Fotis Baltoumas
Hello, Just remove the following from the script, since it is, apparently, obsolete: if int(move): cmd.alter_state(1, selection, "(x,y,z)=sub((x,y,z), centroid)", space={'centroid': centroid, 'sub': cpv.sub}) Or just download again the script, they already