Greg Landrum
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f23fa85b55
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Fixes #4346 : trans bonds are now properly honored in macrocycles (#4355)
* remove some compile warnings
* Fixes #4346
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2021-08-24 06:23:59 +02:00 |
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Greg Landrum
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a3b6a10c54
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revised version of #3894 (#3903)
* backup
* solves the problem
* expand the testing
* document new constant
* changes in response to review
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2021-03-09 17:38:06 +01:00 |
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Greg Landrum
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e5c4e87633
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Revert "ConfGen: Macrocycle torsion terms not being used with fused macrocycles (#3894)" (#3902)
This reverts commit 971e195b5b.
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2021-03-09 14:41:43 +01:00 |
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Greg Landrum
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971e195b5b
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ConfGen: Macrocycle torsion terms not being used with fused macrocycles (#3894)
* backup
* solves the problem
* expand the testing
* document new constant
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2021-03-09 14:36:12 +01:00 |
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