Re: [PyMOL] Fast mmCIF loading in latest Open-Source updates

2014-10-19 Thread Thomas Holder
Hi Andreas, yes that's the same file, finding it from an environment variable could indeed be an option. Cheers, Thomas On 16 Oct 2014, at 17:58, Andreas Förster wrote: > Hi Thomas, > > I assume components.cif is the same file that I've just downloaded for > LigPlot+. Would it be possible

Re: [PyMOL] Fast mmCIF loading in latest Open-Source updates

2014-10-16 Thread Andreas Förster
Hi Thomas, I assume components.cif is the same file that I've just downloaded for LigPlot+. Would it be possible that PyMOL automatically finds this file, say by reading $compcif or some such variable? Thanks. Andreas On 16/10/2014 10:08, Thomas Holder wrote: > Dear all, > > this is for t

[PyMOL] Fast mmCIF loading in latest Open-Source updates

2014-10-16 Thread Thomas Holder
Dear all, this is for those who like to use the latest Open-Source PyMOL code from SVN. We replaced the slow python mmCIF reader with a very fast and efficient C++ implementation. Other than being much faster, this implementation provides: - new connect_mode=4 does bonding with components.cif d