Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK]
Im Auftrag von "Deniz Üresin"
Gesendet: Mittwoch, 3. April 2019 13:15
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [EXTERNAL] [ccp4bb] refmac5 problems with unnatural amino acid
Hello,
I'm trying to refine the structure of a prot
Üresin"
Cc: "CCP4BB@JISCMAIL.AC.UK"
Betreff: Re: [ccp4bb] refmac5 problems with unnatural amino acid
Qs..
1) You are using the same dictionaries for both REFMAC and COOT?
2) What happens in refmac if you just use REFI IDEALISE?
And turn on the option for REFMAC to
MONITOR MAN
f file.
>
>
>
> Best,
>
> Herman
>
>
>
> *Von:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *Im Auftrag von
> *"Deniz Üresin"
> *Gesendet:* Mittwoch, 3. April 2019 13:15
> *An:* CCP4BB@JISCMAIL.AC.UK
> *Betreff:* [EXTERNAL] [ccp4bb] refmac5 prob
the internal cif file.
Best,
Herman
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von "Deniz
Üresin"
Gesendet: Mittwoch, 3. April 2019 13:15
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [EXTERNAL] [ccp4bb] refmac5 problems with unnatural amino acid
Hello,
I'm trying to refine the
Qs..
1) You are using the same dictionaries for both REFMAC and COOT?
2) What happens in refmac if you just use REFI IDEALISE?
And turn on the option for REFMAC to
MONITOR MANY - it might tell you if there is some clash which is overriding
the geometry restraints..
Eleanor
On Wed, 3 Apr 2019 at
Hello,
I'm trying to refine the structure of a protein mutant that has an unnatural amino acid in it. I created a restraint file for the AA and the mutation worked fine in COOT. But when I use refmac5 for refinement, it always changes the bond angle in the sidechain (an azide group, which should
