Hi Tristan,
I am looking into all the options listed, yet would still highly appreciate
any additional resources!
If you would be kind enough to share an example script that would be great.
Best,
Orly
On Sun, Jan 12, 2020 at 9:12 PM Tristan Croll wrote:
> Just to add to the already-excellent l
Just to add to the already-excellent list of replies, this can also be done
quite straightforwardly with the Clipper plugin in ChimeraX. I’d be happy to
provide an example script if you want one.
Best regards,
Tristan
> On 12 Jan 2020, at 18:54, orly avraham wrote:
>
> Hi Marcin,
>
> T
Hi Marcin,
Thank you very much for your detailed reply!
You pointed out many special cases that I wouldn't have thought of.
Indeed an existing solution is highly preferred, and I appreciate you
pointing out several available libraries. I came across Gemmi and I will
give it another look, and I wil
BioJava is another library that can do this. Not python but perhaps it can
still help.
This part of the tutorial covers how to find all contacts in the crystal:
https://github.com/biojava/biojava-tutorial/blob/master/structure/crystal-contacts.md
Definitely I'd follow Marcin's advice to use exis
Hi Zhijie,
it's good and instructive to implement such things from the ground up,
but there are many special cases that one would be discovering while
testing this procedure, so if the time is limited it may be better to
use an existing solution.
For instance, here one may find out that using the
