> Germany
> Phone: +49 (0)30 94793-284
> --
> *From:* CCP4 bulletin board on behalf of Muhammad
> Bashir Khan
> *Sent:* Friday, May 1, 2020 2:25:56 AM
> *To:* CCP4BB@JISCMAIL.AC.UK
> *Subject:* Re: [ccp4bb] Ligand Refinement in coot
>
>
Molekulare Pharmakologie (FMP)
Robert-Rössle-Strasse 10
13125 Berlin
Germany
Phone: +49 (0)30 94793-284
From: CCP4 bulletin board on behalf of Muhammad Bashir
Khan
Sent: Friday, May 1, 2020 2:25:56 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Ligand
ReadySet
On Thu, Apr 30, 2020 at 6:23 PM Sharan Karade
wrote:
> Hi,
> I think, you can generate new restrain file for your ligand and load
> before you do refine in COOT for next time. I have query that, how did you
> generate restrain file for ligand (elbow or readyset in phenix)?.
>
>
>
>
>
Hi,
I think, you can generate new restrain file for your ligand and load
before you do refine in COOT for next time. I have query that, how did you
generate restrain file for ligand (elbow or readyset in phenix)?.
On Thu, Apr 30, 2020 at 5:06 PM Muhammad Bashir Khan
wrote:
> Hi Folks;
>
> I
On 30/04/2020 21:55, Muhammad Bashir Khan wrote:
I want to ask about the ligand refinement in coot. Earlier I was able
to refine the ligand in the coot using real space refine zone but now
by some reason when I want to refine the ligand in coot it asks me
"Refinement setup failure failed to
On 30/04/2020 21:55, Muhammad Bashir Khan wrote:
I want to ask about the ligand refinement in coot. Earlier I was able
to refine the ligand in the coot using real space refine zone but now
by some reason when I want to refine the ligand in coot it asks me
"Refinement setup failure failed to
Hi Folks;
I want to ask about the ligand refinement in coot. Earlier I was able to
refine the ligand in the coot using real space refine zone but now by some
reason when I want to refine the ligand in coot it asks me
"Refinement setup failure failed to find restrained for XYZ". Do not know
what
Hello everyone,
Thanks Paul! This allowed me to use the real space refine function in COOT
to properly fit NAD without the nicotinamide ring flying apart (solving the
first part of the problem) but it did not solve the problem of NAD imploding
after refmac.
In addition to shifting NN1 and NN7 to
Hello Everyone,
I am attempting to fit NAD to a 2.1 A lactate dehydrogenase structure I've
built and I'm running into several problems:
1. I loaded NAD from the COOT monomer library and was able to fit roughly
2/3 of it into the density using the real space refine zone function but the
Larry Grant wrote:
I am attempting to fit NAD to a 2.1 A lactate dehydrogenase structure
I've built and I'm running into several problems:
1. I loaded NAD from the COOT monomer library and was able to fit
roughly 2/3 of it into the density using the real space refine zone
function but the
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