Problems: Difference between revisions

Latest revision as of 03:47, 13 March 2014

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-== Technical Problems ==
+#REDIRECT [[Category: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
-== Philosophical Problems ==
-*
-*
-*
-[[Category:Problems]]