Difference between revisions of "DOCK:Problems"

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* prepare new distribution
 
* prepare new distribution
 
* "collisions"
 
* "collisions"
* inline out of box detection
+
* inline out of box detection (fixed in DOCK 3.5.54 revision 274)
 
* ligand internal energy
 
* ligand internal energy
 
* write out multiple structures for PLOP
 
* write out multiple structures for PLOP

Revision as of 19:00, 16 February 2010

This is the UCSF DOCK problem page. There are other problem pages too:


Docking problems in general

  • treatment of entropy
  • treatment of receptor desolvation
  • treatment of induced-fit effects
  • ligand internal energy

DOCK 3.5.54

  • prepare new distribution
  • "collisions"
  • inline out of box detection (fixed in DOCK 3.5.54 revision 274)
  • ligand internal energy
  • write out multiple structures for PLOP