Vina

Latest version: v1.2.5

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1.2.5

Fixes the sorting of output poses by energy (REMARK VINA RESULT).
This bug was introduced in v1.2.4.
Reported in 211 and fixed in 214.

1.2.4

- fix incorrect unbound energies, see issue 200
- enable catching errors in Python with try/except, see 100, 139, 146, and 160
- fix energy when no_refine is enabled 178
- fix clash penalty calculation for ligand randomization 177
- batch mode works with vinardo scoring function 186
- replace deprecated numpy.int() call
- remove asterisk from Python version requirement

1.2.3

- windows build
- fix bug that causes incorrect grid dimensions when reading AD4 maps
- remove double-counting of flex-grid interactions in printed scores
- add autobox option
- check if ligand is inside box before scoring
- dropped conda install
- documentation updates
- other minor fixes

1.2.2

1.2.1

1.2.0

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