On Wed, Aug 16, 2017 at 7:14 PM, David Liu <sdhsm1...@gmail.com> wrote:
> Thanks a lot for your reply! It makes sense to me. I wonder if there is a
> plan for rdkit to generate the mol2 file directly from the rdkit molecule
> object?

There is a pull request active for a python-based mol2 writer:
Maciej made a lot of progress and then things got stuck; likely due to
someone running out of time.

I just quickly looked through the PR and it looks like it's pretty close to
being useable (at least as a first version), but it will require someone to
invest some time in the last tuning and testing.

Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
Rdkit-discuss mailing list

Reply via email to