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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 [[log in to unmask]] on behalf of Eleanor Dodson [[log in to unmask]] Sent: Tuesday, 29 October 2013 11:51 p.m. To: [log in to unmask] Subject: Re: [ccp4bb] Is it possible for a ligand cif file from the CCP4 library to contain errors ? 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. Eleanor On 29 October 2013 10:21, Tim Gruene <[log in to unmask]> wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > 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. > > Best, > Tim > > On 10/29/2013 10:15 AM, Jodie Johnston wrote: >> 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 appears not to be, is it possible >> >> to talk to someone about correcting the cif file ? >> >> >> >> >> >> Many Thanks >> >> >> >> Jodie >> > > - -- > - -- > Dr Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.15 (GNU/Linux) > Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ > > iD8DBQFSb4wRUxlJ7aRr7hoRAu21AJ9u78CgI0EV2shsvQS7ghl1FbddxwCgjxfJ > EfmUgIVb9xKGdzmxSaRsBbw= > =7+vC > -----END PGP SIGNATURE-----