Show Posts

This section allows you to view all posts made by this member. Note that you can only see posts made in areas you currently have access to.


Netiquette · Download · News · Gallery · Homepage · DSSR Manual · G-quadruplexes · DSSR-Jmol · DSSR-PyMOL · DSSR Licensing · Video Overview· RNA Covers

Topics - RAHULRAH

Pages: [1]
1
MD simulations / Filter frayed ends or broken H bonds
« on: October 10, 2019, 08:32:20 am »
Hello,

I am trying to process some X-ray protein-DNA crystal data. I am just focussing on the double-stranded DNA structure. But there are some snapshots/structure in which the H-bond doesn't seem to be okay i.e. say distance of acceptor and donor atoms in H-bond is more than 5 angstrom.

Are there any justified criteria for how to filter such bad snapshots?

Thanks in advance
Rahul

Pages: [1]

Created and maintained by Dr. Xiang-Jun Lu [律祥俊] (xiangjun@x3dna.org)
The Bussemaker Laboratory at the Department of Biological Sciences, Columbia University.