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.
> -----Original Message-----
> From: CCP4 bulletin board <[log in to unmask]> On Behalf Of Eugene
> Sent: Tuesday, May 15, 2018 10:36
> To: [log in to unmask]
> 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:
> [log in to unmask]" target="_blank">https:[log in to unmask]
> 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: [log in to unmask] <mailto:[log in to unmask]>