1
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Commits : Listings

Analyzed about 1 hour ago. based on code collected about 17 hours ago.
Jun 11, 2024 — Jun 11, 2025
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
get the AR_MOLGRAPH caching write with substructs; the current implementation introduces a core leak, so it is disabled by default More... over 18 years ago
get the AR_MOLGRAPH caching write with substructs; the current implementation introduces a core leak, so it is disabled by default More... over 18 years ago
test ChemTransforms More... over 18 years ago
test ChemTransforms More... over 18 years ago
support new rdvars format More... over 18 years ago
support new rdvars format More... over 18 years ago
the ongoing quest to get rdvars more flexible continues More... over 18 years ago
the ongoing quest to get rdvars more flexible continues More... over 18 years ago
remove curMol_gps; switch to using AtomRingQuery for "is in a ring" queries More... over 18 years ago
remove curMol_gps; switch to using AtomRingQuery for "is in a ring" queries More... over 18 years ago
reorg the query stuff a bit; add ChemTransforms to the makefile (duh) More... over 18 years ago
reorg the query stuff a bit; More... over 18 years ago
doc update More... over 18 years ago
doc update More... over 18 years ago
doc update More... over 18 years ago
doc update More... over 18 years ago
remove the cache_armolgraphs stuff, it was not being used and probably cannot work anyway as it was being done More... over 18 years ago
remove the cache_armolgraphs stuff, it was not being used and probably cannot work anyway as it was being done More... over 18 years ago
adding dependency of wrapDistGeomHelpers on libAlign More... over 18 years ago
adding dependency of wrapDistGeomHelpers on libAlign More... over 18 years ago
add backslashes to extended doc strings More... over 18 years ago
add backslashes to extended doc strings More... over 18 years ago
adding option argument pruneRmsThresh to EmbedMultipleConfs to prune away similar conformations More... over 18 years ago
adding option argument pruneRmsThresh to EmbedMultipleConfs to prune away similar conformations More... over 18 years ago
er, this should have been added a while ago More... over 18 years ago
er, this should have been added a while ago More... over 18 years ago
fixes to get things working on linux using ChemTransforms More... over 18 years ago
fixes to get things working on linux using ChemTransforms More... over 18 years ago
minor design change More... over 18 years ago
minor design change More... over 18 years ago