Dear Bernhard Rupp,
Sure, will look in this direction.
Thank you
Regards
Kavya
On 2023-02-06 00:41, Bernhard Rupp wrote:
> TCEP is known to form transition metal complexes. With the molecule alone
> already about 10A across, a ~11x11x46 cell is not unreasonable, and there
> might be al
TCEP is known to form transition metal complexes. With the molecule alone
already about 10A across, a ~11x11x46 cell is not unreasonable, and there might
be alternatives to P3 (can’t tell from the single image). Would be interesting
to collect and, as mentioned, toss into Direct methods assisted
I guess you could also get pdbset to do it in one go, using various lines
(being careful to use the right order and not “overwrite” residues with the
same name).
Ideally you’d want to run only the renumber part of a auto-build program like
buccaneer or arp-warp, without the rebuilding or refinem
