Problems: Difference between revisions

Latest revision as of 03:47, 13 March 2014

Redirect to:

@@ Line 1: / Line 1: @@
-= Technical Problems =
+#REDIRECT [[Category:Problems]]
-== ZINC ==
-** some molecules are duplicated
-** treatment of protonation and tautomerization is unsatisfactory
-** treatment of E/Z isomerism is unsatisfactory
-{{TOCright}}
-== Cluster ==
-** 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 ==
-** collisions
-** out of box detection
-** ligand internal energy
-**
-== DOCK 6 ==
-**
-**
-**
-**
-= Scientific Problems =
-== Docking ==
-** treatment of entropy
-** treatment of desolvation
-** treatment of induced-fit effects
-** ligand internal energy
-= Philosophical Problems =
-*
-*
-*
-[[Category:Problems]]