Problems: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
|||
Line 37: | Line 37: | ||
* | * | ||
* | * | ||
[[Category:Problems]] |
Revision as of 17:59, 21 September 2007
Technical Problems
- ZINC has various problems
- some molecules are duplicated
- treatment of protonation and tautomerization is unsatisfactory
- treatment of E/Z isomerism is unsatisfactory
- Our Cluster has various problems
- it is too easy to overload
- Offspring's backplane has issues
- Node O/S update - Michael has ideas
- bjork needs to be rebuilt
- garbage still needs a 4->5 upgrade
- switch in 508 not correctly negotiating with workstations
- DOCK 3.5.54 has various problems
- collisions
- out of box detection
- ligand internal energy
- DOCK 6 has various problems
Scientific Problems
- in Docking
- treatment of entropy
- treatment of desolvation
- ligand internal energy