ERs but it is
in F90 and no guarantees whatsoever case someone wants it.
Best, BR
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Marcin
Wojdyr
Sent: Tuesday, November 7, 2017 5:33 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Removing a ter li
rzealous introduction of TER cards by Refmac is the bad
> thing,
> > but I might be mistaken…
> > Herman
> >
> > Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von
> > Eleanor Dodson
> > Gesendet: Dienstag, 7. November 2017 13:28
> > An: CC
CP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von
> Eleanor Dodson
> Gesendet: Dienstag, 7. November 2017 13:28
> An: CCP4BB@JISCMAIL.AC.UK
> Betreff: [EXTERNAL] Re: [ccp4bb] Removing a ter line present in the middle
> of the chain
>
> Well - I just edited th
. November 2017 13:28
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [EXTERNAL] Re: [ccp4bb] Removing a ter line present in the middle of
the chain
Well - I just edited the HETATM to ATOM and the TER went away..
Something (Refmac? Coot?? mystery?) was labelling all atoms in MSE residues as
HETATM and that was
.
Best, BR
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Marcin
Wojdyr
Sent: Tuesday, November 7, 2017 5:33 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Removing a ter line present in the middle of the chain
On 7 November 2017 at 12:28
Well then, REFMAC I guess needs to be cleverer and check whether a HETATM
"residue" is an Lpeptide or not.
Eleanor
On 7 November 2017 at 13:33, Marcin Wojdyr wrote:
> On 7 November 2017 at 12:28, Eleanor Dodson
> <176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote:
> >
> > Something (Refmac?
On 7 November 2017 at 12:28, Eleanor Dodson
<176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote:
>
> Something (Refmac? Coot?? mystery?) was labelling all atoms in MSE residues
> as HETATM and that was a BAD THING..
I don't dispute this, but that's what the pdb spec from the PDB
requires (HETATM
Well - I just edited the HETATM to ATOM and the TER went away..
Something (Refmac? Coot?? mystery?) was labelling all atoms in MSE residues
as HETATM and that was a BAD THING..
Eleanor
On 7 November 2017 at 08:05, Abhishek Anan
wrote:
> Are you LINK records properly defined? You might want t
Are you LINK records properly defined? You might want to check them. I
had a similar issue and updating links fixed it.
Best
Abhishek
On 11/7/17, Eleanor Dodson wrote:
> No - it is not.
>
> I have seen similar problems.
> Your atom records arent labelled as HETATM are they?
>
> That triggers str
No - it is not.
I have seen similar problems.
Your atom records arent labelled as HETATM are they?
That triggers strange behavior.
Eleanor
On 7 November 2017 at 07:13, Abhishek Anan
wrote:
> Are you adding the cif file of the unnatural amino acid on LIB in path
> in refmac.
>
> Best,
> Abhish
Are you adding the cif file of the unnatural amino acid on LIB in path
in refmac.
Best,
Abhishek
On 11/7/17, Rashi Aggarwal wrote:
> Dear all,
>
> I have an unnatural amino acid in my structure which I could successfully
> add in coot. The amino acid is taking the right bonds when viewed with
Dear all,
I have an unnatural amino acid in my structure which I could successfully
add in coot. The amino acid is taking the right bonds when viewed with
coot. However, the pdb file has a ter line just above the residue.
If I remove this line and submit the pdb to refmac it again adds the ter
li
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