Crem

Latest version: v0.2.12

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0.2.12

- add support of tab-delimited files with fragments and environments (useful if names/SMILES contain commas)

0.2.11

- add support of custom functions to filter fragments chosen for attachment/replacing
- add an example how to implement and use filtering function to README
- add an auxiliary function get_replacements

0.2.10

- fix to enable compatibility with python 3.11

0.2.9

- fix a lost molecule in output of grow and mutate

0.2.8

- add link to crem.imtm.cz to README
- change default separator in fragmentation.py to tab
- fix description of arguments for grow_mol
- fix output of molecules identical to the input structure

0.2.7

- add to mutate and grow functions treatment of topologically equivalent atoms

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