You dont seem to have assigned LIBIN as 1pe.cif - you need to assign
your library file - are you using the GUI?
Enter 1pe.cif in LIB In slot.
Craig McElroy wrote:
Hi all,
I am trying to refine a structure with a PEG400 molecule using
refmac 5.3. I have created the necessary library file and
ect: Re: [ccp4bb] refmac5 refinement with PEG400
Just a quick clarification... I'm already using "make check none" in the
script file, and the PEG400 pdb from which I made the library file is
from the HICCUP server and was called 1PE.
Thanks
Craig
Craig McElroy, Ph.D.
Departmen
.UK
Subject: Re: [ccp4bb] refmac5 refinement with PEG400
Just a quick clarification... I'm already using "make check none" in the
script file, and the PEG400 pdb from which I made the library file is
from the HICCUP server and was called 1PE.
Thanks
Craig
Craig McElroy, P
Dear Craig,
It seems Refmac is not reading the user supplied dictionary. I expected a line
near Makecif parameters like this.
"User supplied dictionary entries: /home/pathak/junk.cif"
regards
Manish
Craig McElroy <[EMAIL PROTECTED]> wrote: Hi all,
I am trying to refine a structure with a
2992
Fax: (650) 926-3292
-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Craig McElroy
Sent: Wednesday, August 08, 2007 1:11 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] refmac5 refinement with PEG400
Hi all,
I am trying to refine a structu
TECTED] On Behalf Of Craig McElroy
Sent: Wednesday, August 08, 2007 1:11 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] refmac5 refinement with PEG400
Hi all,
I am trying to refine a structure with a PEG400 molecule using
refmac 5.3. I have created the necessary library file and read it into
the
Hi all,
I am trying to refine a structure with a PEG400 molecule using
refmac 5.3. I have created the necessary library file and read it into
the refinement, but for some reason refmac still quites and complains
that it has come across a new ligand. I am obviously doing something
stupid, bu
