Brian Kelley b1b7fb1892 Fixes #7501 dative bonds in cdxml (#7757) ...

* Fix datative bonds in CDXML

* Finalize test

* Don't sanitize, use normal smiles

2024-08-28 05:59:43 +02:00

..

anybond.cdxml

Allow any bond (smiles ~) recognition in CDXML (#7363)

2024-04-29 16:20:23 +02:00

aromatic.cdxml

…

atrop1.cdxml

atropisomer handling added (#6903)

2023-12-22 04:58:18 +01:00

bad-bondorder2.cdxml

…

bad-bondorder.cdxml

…

bad-cdxml.cdxml

…

bad-coords.cdxml

…

bad-id.cdxml

…

beta-cypermethrin-or-abs.cdxml

…

beta-cypermethrin-or-as.cdxml

…

beta-cypermethrin.cdxml

…

chemdraw_template1.cdxml

…

chemdraw_template2.cdxml

…

chemdraw_template3.cdxml

…

chemdraw_template4.cdxml

…

chemdraw_template5.cdxml

…

chemdraw_template6.cdxml

…

chemdraw_template7.cdxml

…

chemdraw_template8.cdxml

…

chemdraw_template9.cdxml

…

chirality1.cdxml

…

cistrans1.cdxml

…

deuterium-atom.cdxml

…

deuterium.cdxml

…

element-list.cdxml

…

explicit-hydrogens.cdxml

…

floating-protecting-group.cdxml

…

fusion-chiral.cdxml

…

github7467-grouped-fragments.cdxml

Allow fragments to be grouped in cdxml (#7529)

2024-06-23 07:02:19 +02:00

github7467-ungrouped-fragments.cdxml

Allow fragments to be grouped in cdxml (#7529)

2024-06-23 07:02:19 +02:00

github7501-dative.cdxml

Fixes #7501 dative bonds in cdxml (#7757)

2024-08-28 05:59:43 +02:00

malformed.cdxml

…

protecting-groups2.cdxml

…

protecting-groups.cdxml

…

query-atoms.cdxml

…

reaction-with-boc.cdxml

…

reaction-with-grouped-templates.cdxml

Allow fragments to be grouped in cdxml (#7529)

2024-06-23 07:02:19 +02:00

ring-stereo1.cdxml

…

rxn1.cdxml

…

rxn2.cdxml

…

sgroups_and_remove_atoms_4.cdxml

…

sgroups_and_remove_atoms_5.cdxml

…

sgroups_and_remove_atoms_6.cdxml

…

sgroups-and-marvin-metal.cdxml

…

stereo1.cdxml

Fix a couple CDXML issues (#6463)

2023-06-15 05:05:33 +02:00

stereo2.cdxml

Fix a couple CDXML issues (#6463)

2023-06-15 05:05:33 +02:00

stereo3.cdxml

Fix a couple CDXML issues (#6463)

2023-06-15 05:05:33 +02:00

stereo4.cdxml

Fix a couple CDXML issues (#6463)

2023-06-15 05:05:33 +02:00

stereo5.cdxml

Fix a couple CDXML issues (#6463)

2023-06-15 05:05:33 +02:00

stereo6.cdxml

Fix a couple CDXML issues (#6463)

2023-06-15 05:05:33 +02:00

stereo.cdxml

…

wavy-single.cdxml

Add wavy stereo bond support to cdxml (#5755)

2022-11-17 04:58:46 +01:00

wavy.cdxml

Add wavy stereo bond support to cdxml (#5755)

2022-11-17 04:58:46 +01:00