Re: [ccp4bb] which software can calculate binding energy

2010-07-22 Thread Greg Warren
Dear Min, There is no software that can accurately calculate the binding energy of a predicted (docking) or solved (X-ray structure) protein-ligand complex particularly for ligands that are different chemically - not part of a congeneric series.While there are a number of publications on

[ccp4bb] A postdoc position at OpenEye Scientific Software, Inc, Santa Fe, NM USA

2010-04-20 Thread Greg Warren
Postdoctoral Position in Structural Biology at OpenEye Scientific Software, Inc. Applications are invited for a postdoctoral position at OpenEye Scientific Software, Inc. to work on structural assessment and re-refinement of a large number of protein-ligand complex structures from a number of

Re: [ccp4bb] Nvidia 3D vision + 1920x1080 Desktop Displays

2010-03-03 Thread Greg Warren
I have Nvidia 3D vision running on the Samsung SyncMaster 2233. One note of caution, for the Quadra FX3800 if you are using dual monitors I haven't found a way to get TwinView to work with the Nvidia 195.30 beta linux driver. You can configure for 2 X-screens to drive the two screens as a