Hi all and more particularly the organizers of UGM 2017,
I have a question concerning the hackaton, does it consist in defined
groups in which you work all day on the same subject or will it be
possible to switch groups and work in different subject? And, my second
question : do we need to be
Hi Colin,
On Tue, Jun 13, 2017 at 3:54 PM, Colin Bournez <
colin.bour...@univ-orleans.fr> wrote:
>
> I have a question concerning the hackaton, does it consist in defined
> groups in which you work all day on the same subject or will it be possible
> to switch groups and work in different subject
Yes thanks for this complete answer.
Colin Bournez
On 13/06/17 16:27, Greg Landrum wrote:
Hi Colin,
On Tue, Jun 13, 2017 at 3:54 PM, Colin Bournez
mailto:colin.bour...@univ-orleans.fr>>
wrote:
I have a question concerning the hackaton, does it consist in
defined groups in which yo
dear RDKit experts,
i have a question about conformer generation, maybe best posed on an
example:
i'm working with macrocycles which have few amide groups. As in each amide
group H(-N) and O(=C) atoms can have two positions with respect to a rigid
part of a molecule (amide groups are direct neigh
Hello,
I am generating conformers.
When I write them out, I'd like that they are named like this:
molName_001
molName_002
...
So that, down the line, I know with which conformer of which molecule
I am working with.
So: "parent" molecule name followed by one '_' then the conformer Id
in a fixe
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