334 2596
stefanie.freitag-p...@durham.ac.uk<mailto:stefanie.freitag-p...@durham.ac.uk>
From: CCP4 bulletin board on behalf of FREITAG-POHL,
STEFANIE
Sent: 25 April 2024 13:01
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] add ligand with AceDRG
[EXTERNAL EMA
Hi all,
I have trouble adding a ligand with AceDRG in CCP4i2 into my refinement:
I put in a smilesstring and the ligand is written ok, but since I can only
chose already 'taken' 3-letter-codes the refinement always crashes as there is
a clash with existing library entries.
Is there any way
Hi,
I just upgraded to CCP4-8.0.002 and found that if I refine in Refmac with
Babinets scaling my maps look not correct.
Is that a known problem?
Best wishes, Stefanie
Dr. Stefanie Freitag-Pohl
Durham University
Department of Chemistry
South Road, Durham
DH1 3LE
United Kingdom
0191 334
