Hello,
I would like to generate conformers with constrained core fragment as
fast as possible. I found this gist -
https://gist.github.com/kylebarlow/1756ea399ba6bfee3c2d3d054c17c3a3 - it
works as expected. One can supply a molecules and ids of moveable atom
and get a set of conformers. I read that a new conformer generator was
included in OB 3 (https://doi.org/10.1186/s13321-019-0372-5) which is
faster and more reliable. But I could not find information in docs how
to access it.
Did the new conformer generator replace Confab and DiverseConfGen
calls the new generator by default? Or it has it own API? If it has its
own API how to access it and can it be used for such a restricted
conformer generation like in the gist above?
Thank you!
Pavel.
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