Comments (2)
The documentation is not updated automatically from docsrings for some reason anymore. However, you may look at the source code and there is a docstring for this function. It returns a list of SMILES of fragments which correspond to given selection criteria (e.g. radius, size, etc) like in mutate_mol
and other functions. I do not think this is an important function, but it some cases it maybe useful.
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The documentation is not updated automatically from docsrings for some reason anymore. However, you may look at the source code and there is a docstring for this function. It returns a list of SMILES of fragments which correspond to given selection criteria (e.g. radius, size, etc) like in
mutate_mol
and other functions. I do not think this is an important function, but it some cases it maybe useful.
thanks for your explanation. I'll close the issue.
from crem.
Related Issues (20)
- No such table: radius3 HOT 2
- fragmentation py issue: Can't generate mol for: SMILES HOT 6
- Reproducible output HOT 1
- grow_mol error when used on fragments with dummy atoms HOT 2
- Annoying [13:51:55] WARNING: not removing hydrogen atom with dummy atom neighbors HOT 1
- Problem with guacamol_test.py HOT 1
- AtomKekulizeException: non-ring atom 2 marked aromatic HOT 2
- fragmentation problem HOT 6
- Results different between online app and local version HOT 2
- [bug] package is incompatible with python 3.11+ HOT 1
- Multiple replacements in grow_mol HOT 2
- error of enumerate_compounds function HOT 4
- enumerate_compounds: filtering the generated molecules to meet my criteria HOT 5
- how to employ the grow_mol2/mut_mol2 function HOT 2
- Issue in HOT 3
- Database Visualization and Variation Inquiry HOT 1
- Fragmentation HOT 4
- Parameters relevant for speed in mutate_mol HOT 11
- Opening Pre-Compiled Databases HOT 2
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