Hi Rituparna, Older version of PyMOL output this when confused regarding the hetereoatom/ligand structure. Do you have proper chemistry? Does the ligand look correct when shown on screen?
Cheers, -- Jason On Wed, Feb 22, 2012 at 5:02 PM, Rituparna Sengupta <[email protected]> wrote: > Hi, > > I'm trying to make a plugin which calculates contact surface area for a set > of ligands with a set of targets. I'm iterating the area calculation program > through the list of ligands and targets to get the contact areas for the > complex. I get the output fine but I keep getting an error. Does anyone know > what it means? > > > ObjectMoleculeGuessValences(1,0): Unreasonable connectivity in heteroatom, > unsuccessful in guessing valences. > > > > Thanks, > Ritu > > ------------------------------------------------------------------------------ > Virtualization & Cloud Management Using Capacity Planning > Cloud computing makes use of virtualization - but cloud computing > also focuses on allowing computing to be delivered as a service. > http://www.accelacomm.com/jaw/sfnl/114/51521223/ > _______________________________________________ > PyMOL-users mailing list ([email protected]) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/[email protected] -- Jason Vertrees, PhD PyMOL Product Manager Schrödinger, LLC (e) [email protected] (o) +1 (603) 374-7120 ------------------------------------------------------------------------------ Virtualization & Cloud Management Using Capacity Planning Cloud computing makes use of virtualization - but cloud computing also focuses on allowing computing to be delivered as a service. http://www.accelacomm.com/jaw/sfnl/114/51521223/ _______________________________________________ PyMOL-users mailing list ([email protected]) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/[email protected]
