Re: [PyMOL] saving cif files and atom numbering

2014-11-14 Thread Thomas Holder
Hi Pascal, we have implemented basic cif export (only atom table and symmetry header for now), this will be available in the next PyMOL release. The cif export code is already in the open-source repository, so if you need it urgently or want to test it, you could compile from source. To preser

Re: [PyMOL] Automatic detection and removing of steric problems

2014-11-14 Thread Thomas Holder
Hi James, the "within" selection operator might solve your problem. http://pymolwiki.org/index.php/Selection_Algebra#Comparison_of_distance_operators Hope that helps. Cheers, Thomas On 08 Nov 2014, at 02:26, James Starlight wrote: > Dear PyMol users! > > I'm writing of some automatic scri

[PyMOL] Super, algorithm

2014-11-14 Thread Osvaldo Martin
Hi, Exactly which algorithm is behind the super command? How the outliers pairs are defined? The is some scientific paper related to super or it is really an experimental idea? Thanks. -- Comprehensive Server Monitoring