Logo
Explore Help
Sign In
pub_soft/rdkit
3
0
Fork 0
You've already forked rdkit
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-07 22:44:25 +08:00
Code Issues Packages Projects Releases Wiki Activity
Files
4eecdaf3cf0d1b8d41ae8564260f227ceabacdba
rdkit/Code/GraphMol/DistGeomHelpers
History
Greg Landrum c3dc1fd914 These are mostly documentation changes. Exceptions are noted below.
Wrap/MolChemicalFeature.cpp: expose ClearCache() method.
RDCode.sln: fix a dependency
2007-04-24 04:24:22 +00:00
..
test_data
fix a minor coordinate problem in the regressions (connected to new chirality handling)
2006-11-22 04:25:24 +00:00
Wrap
These are mostly documentation changes. Exceptions are noted below.
2007-04-24 04:24:22 +00:00
BoundsMatrixBuilder.cpp
setup svn keywords (should have done this before import... grn)
2006-05-06 22:54:39 +00:00
BoundsMatrixBuilder.h
initial import
2006-05-06 22:20:08 +00:00
DistGeomHelpers.vcproj
- Get windows debug builds working
2006-05-11 00:42:39 +00:00
Embedder.cpp
letting hydrogens in the graph be part of chiral volume calculation atoms
2006-11-30 00:24:34 +00:00
Embedder.h
adding option argument pruneRmsThresh to EmbedMultipleConfs to prune away similar conformations
2006-10-02 23:17:04 +00:00
Makefile
adding option argument pruneRmsThresh to EmbedMultipleConfs to prune away similar conformations
2006-10-02 23:17:04 +00:00
test_list.py
initial import
2006-05-06 22:20:08 +00:00
testDgeomHelpers.cpp
fix a minor coordinate problem in the regressions (connected to new chirality handling)
2006-11-22 04:25:24 +00:00
testDgeomHelpers.vcproj
- Get windows debug builds working
2006-05-11 00:42:39 +00:00
Powered by Gitea Version: 1.25.3 Page: 45ms Template: 2ms
English
Bahasa Indonesia Deutsch English Español Français Gaeilge Italiano Latviešu Magyar nyelv Nederlands Polski Português de Portugal Português do Brasil Suomi Svenska Türkçe Čeština Ελληνικά Български Русский Українська فارسی മലയാളം 日本語 简体中文 繁體中文(台灣) 繁體中文(香港) 한국어
Licenses API