Okay. Thanks!! On 02/23/12, Jason Vertrees wrote: > Hi Ritu, > > I cannot say without seeing you structure. You can also upgrade to the > newest version of PyMOL -- that might help. Last, that should just be > a warning, not an error. > > Cheers, > > -- Jason > > On Thu, Feb 23, 2012 at 2:48 PM, Rituparna Sengupta <[email protected]> > wrote: > > Hi Jason, > > > > I tried loading the target and the ligands separately, the ligands seem > > fine but I got the pre-mentioned error while loading the target. It seems > > there is something wrong with the target structure, but I can't figure out > > what. I don't have much experience with structures and am not sure what I > > should be looking for to make sure the structure is ok. Any advice would be > > very helpful. > > > > > > Thanks, > > Ritu > > > > On 02/22/12, Jason Vertrees wrote: > >> 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 > > > > > > -- > 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]
