Difference between revisions of "Release"
From Rizzo_Lab
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Developer To Do: | Developer To Do: | ||
| − | # Test Courtney's orienting fixx | + | # <s>Test Courtney's orienting fixx</s> |
| − | # Test Brian's rotatable bond fix | + | # <s>Test Brian's rotatable bond fix</s> |
# HMS = NA vs 9999 and implications on dn generic | # HMS = NA vs 9999 and implications on dn generic | ||
# score molecule = no, internal energy = yes problem | # score molecule = no, internal energy = yes problem | ||
Latest revision as of 09:48, 3 December 2018
DOCK 6.10 To do list
- (1)Update the FMS and FPS test cases
- (2)Change variables in the FMS and FPS
- (3)Merge all the changes with the latest CVS version for testing
- (4)Update the DOCK 6.8 HTM file
- (5)Perform the descriptor tests
- (6)Check in the changes to DOCK CVS Tree
Developer To Do:
-
Test Courtney's orienting fixx -
Test Brian's rotatable bond fix - HMS = NA vs 9999 and implications on dn generic
- score molecule = no, internal energy = yes problem
