Indeed, even from i2. The issue is somewhere else, sorry for blaming refmac.
Jan
On 05/03/2017 01:09 PM, Robbie Joosten wrote:
Hi Jan,
That could be a postprocessing thing, because that version of Refmac works fine
from the command line or from CCP4i (at least in my hands on Linux).
Cheers,
Robbie
-----Original Message-----
From: Jan Stransky [mailto:jan.stransky.c...@gmail.com]
Sent: Wednesday, May 03, 2017 13:05
To: Robbie Joosten
Subject: Re: [ccp4bb] HETATM record after Refmac
Dear Robbie,
It is refmac from current CCP4 release. It is run from i2.
This is in the log: CCP4 7.0.036: Refmac version 5.8.0158 :
03/10/16
Jan
On 05/03/2017 12:53 PM, Robbie Joosten wrote:
Dear Jan,
That problem was solved many versions ago. Which version of REFMAC are
you using? Is there perhaps another program handling the files before they
go to COOT?
Cheers,
Robbie
-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf
Of
Jan Stransky
Sent: Wednesday, May 03, 2017 10:33
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] HETATM record after Refmac
Dear ccp4ers,
is there way to retain HETATM keyword for ligands when running refmac?
It apparently changes HETATM to ATOM which spoils some nice ligand
features in Coot...
Best regards,
Jan
