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Merged
drroe merged 20 commits into from
Mar 21, 2026
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Merged

Fix.chiral.priority.update manual #1173

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5aff6e0
Add to static libs to fix ambpdb
Mar 19, 2026
1dfa6a1
Do a more strict implemenation of the Cahn-Ingold-Prelog rules for de…
Mar 19, 2026
8e6b8ae
Hide debug info
Mar 19, 2026
24fbbb9
Reenable byatom
Mar 19, 2026
81316e2
Add checkchirality byatom test
Mar 19, 2026
f094c3f
Temporarily enable some debug. Improve debug message
Mar 20, 2026
fd746fc
Document checkchirality byatom
Mar 20, 2026
83de5c2
Try to make the search order more consistent by using weights of bond…
drroe Mar 20, 2026
da11f7c
Allow DetermineChirality() to be called with only 2 bonds and with no…
drroe Mar 20, 2026
6b20a2e
Try to make more consistent unique ids
drroe Mar 20, 2026
5e862b4
Increase depth limit
drroe Mar 21, 2026
c599b82
Revert the AtomMap change for now, no way near enough testing
drroe Mar 21, 2026
a9890de
Add back the old tie-breaking code, helps with extremely symmetric mo…
drroe Mar 21, 2026
f508759
Hide some debug info
drroe Mar 21, 2026
a39d235
Improve docs
drroe Mar 21, 2026
47f2591
V7.4.0. Minor version bump for fixes to chirality determination and a…
drroe Mar 21, 2026
d456c0a
Update manual PDF
drroe Mar 21, 2026
d037230
Finish manual entry for checkchirality byatom
drroe Mar 21, 2026
0e8c6b2
Finish updating the manual
drroe Mar 21, 2026
2d3f996
Merge branch 'master' into fix.chiral.priority.updateManual
drroe Mar 21, 2026
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Binary file modified doc/CpptrajManual.pdf
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2 changes: 1 addition & 1 deletion doc/DocumentChecksums.txt
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Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
f6f8cb1a79951d80a9d2656fd9c30f55 CpptrajDevelopmentGuide.lyx
a79cd8a2fc836f0b432c5ef4498081ed cpptraj.lyx
3b89e9556662b1c6de2d0e38ab894588 cpptraj.lyx
5d9b5b5ed47a3ded57b6464df99b3585 CpptrajManual.lyx
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