Hi Eugene, The problem is not in the HEC.cif file but with the LINKs which modify the chemistry. These were fixed a while ago and the LINKs were added to the CCP4 dictionary. I thought these were released already. If not, they will be soon.
Cheers, Robbie > -----Original Message----- > From: CCP4 bulletin board <[email protected]> On Behalf Of Eugene > Osipov > Sent: Tuesday, May 15, 2018 10:36 > To: [email protected] > Subject: [ccp4bb] Problems with HEC in CCP4 > > Dear CCP4 developers, > please fix errors with heme c dictionary file HEC.cif. > Edward Berry described this problem in detail 4 years ago: > https://www.mail-archive.com/[email protected]/msg36393.html > This error already affects deposited entries, e.g.: 4QO5 clearly contains > errors in vynil groups of heme c. > > > -- > > Eugene Osipov > Junior Research Scientist > Laboratory of Enzyme Engineering > A.N. Bach Institute of Biochemistry > Russian Academy of Sciences > Leninsky pr. 33, 119071 Moscow, Russia > e-mail: [email protected] <mailto:[email protected]>
