Hi there!
I set up a group for RDKit users in Japan, rdkit-users-jp.
We will discuss about using RDKit, documents translation in Japanese, and
so on.
Please join us freely.
ML: https://groups.google.com/forum/#!forum/rdkit-users-jp
WEB: https://rdkit-users-jp.github.io/
Twitter: hash_tag
On 06/22/2017 11:20 PM, gosia olejniczak wrote:
Hi again,
i found where the problem was (it seems):
as i was reading in molecules from sdf file through "SDMolSupplier" by
doing:
suppl = Chem.SDMolSupplier(filename)
the hydrogen atoms were removed (what was not obvious since e.g.
On 2017-06-22 01:36, Francois BERENGER wrote:
make deb # in rdkit source tree
Some people might ask for a make rpm target also.
You'd have to track any changes that redhat, canonical, suse, and
whoever else's out there might make to e.g. filesystem layout, linked
libraries, python and so
Hi again,
i found where the problem was (it seems):
as i was reading in molecules from sdf file through "SDMolSupplier" by
doing:
suppl = Chem.SDMolSupplier(filename)
the hydrogen atoms were removed (what was not obvious since e.g.
GetNumAtoms with "heavy" flag was returning the total number
Hi,
I'd suppose the latest version if not in PPA (I dont know such repo) is
available in Debian Sid/Experimental. Unfortunately it's still two versions
behind. https://packages.debian.org/sid/python-rdkit It's still a year
newer that the one you have.
You might also try packages from newer
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