Hi
I wanted to check is it possible that there could
be errors in the library cif files associated with CCP4 and coot ?
I have noticed a couple of potential errors in a ligand cif file from the CCP4
library.
Perhaps it is my error - I shall need to triple check it again but, if it
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Dear Jodie,
except for the matter if there is 'right' and 'wrong' in science or
rather 'good' and 'bad' models, Garib Murshudov maintains the
cif-library and if you send him a compilation of possible fixes he
would surely appreciate your input.
There are errors in every branch of human endeavour I am sure!
Please if you find something wrong. send your suggested correction to
Garib Paul, and once there is a fix notify us all via the BB.
CCP4 has always depended heavily on the users noticing the bugs
Thank you for your observation.
Thanks Everyone for your input
I shall triple check my reasoning tomorrow and
email Garib if I do think there is an issue.
Thanks
Jodie
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Eleanor Dodson
[eleanor.dod...@york.ac.uk]
Sent:
On 29/10/13 06:54, Jodie Johnston wrote:
Thanks Everyone for your input
I shall triple check my reasoning tomorrow and
email Garib if I do think there is an issue.
Make suer that you are using the latest dictionary (of course)
Can the fixes in the CCP4 dictionary be rolled out through the update system
of CCP4? That way we can avoid (at least to some extent) that people keep
working with erroneous restraint files. Some of these errors can really mess
up your structure.
Cheers,
Robbie
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