DGeom
- RDKit distance-geometry conformer generation
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Demo
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input format:
SMILES
MDL SDfile
file2txt:
upload:
or paste...
or draw:
JSME
options:
mode:
single
(interactive)
multi
(batch)
maxconf:
forcefield:
MMFF
UFF
optimizer iters:
optimizer E-tolerance:
misc:
smifile header:
verbose:
Go DGeom
RDKit version: 2021.09.2
Boost version: 1_74
