Addendum:

4qo5 actually lacks the right LINK records altogether. It will only work if you add these by hand. Perhaps you should ask the depositors or the PDB to add the appropriate LINK records.

Cheers,
Robbie

> -----Original Message-----
> From: CCP4 bulletin board <[log in to unmask]> On Behalf Of Robbie
> Joosten
> Sent: Tuesday, May 15, 2018 10:51
> To: [log in to unmask]
> Subject: Re: [ccp4bb] Problems with HEC in CCP4
>
> 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 <[log in to unmask]> On Behalf Of
> Eugene
> > Osipov
> > 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]" rel="noreferrer" target="_blank">https://www.mail-archive.com/[log in to unmask]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: [log in to unmask] <mailto:[log in to unmask]>