On 28/04/2023 08:41, StrBio wrote:
CAUTION: This email originated from outside of the LMB.
Do not click links or open attachments unless you recognize the sender
and know the content is safe.
*.-owner-ccp...@jiscmail.ac.uk-.*
Hello,
Can you suggest how to make isopeptide bond in coot and g
Hi Amit,
If you are interested in generating restraints for SHELX then Grade2 supports
this (apply the cosine rule like Jon suggests) and producing ‘dfix’ files
for SHELXL (is this what you mean by a “shelxl” topology file)?
The Grade Web Server:
https://grade.globalphasing.org
can be used fo
Hello Amit, without PRODRG I don't know of another way to make the SHELX
dictionary restraints but it can be done by hand with a small-molecule
structure to measure the bond lengths and 1-3 atom distances from. You can also
use general values for the ideal bond lengths and angles and the cosine
