What is your occupancy of PEG here ?,you should also look at it.
Best
Prem
On Thu, Dec 14, 2017 at 6:37 AM, sanjeev kumar
wrote:
> Thanks, I'll check it out.
>
> On Wed, Dec 13, 2017 at 8:06 PM Anthony Addlagatta <
> anthonyaddlaga...@gmail.com> wrote:
>
>> This could be
On 13/12/2017 13:50, Kajander, Tommi A wrote:
Hello,
If someone could point this out would be very helpful... Wasnt there a simple script somewhere that would
transfer coordinates close to origin - if they for some reason are not? Just cant find anything right away.
At the risk of not
Thanks, I'll check it out.
On Wed, Dec 13, 2017 at 8:06 PM Anthony Addlagatta <
anthonyaddlaga...@gmail.com> wrote:
> This could be 2-mercaptoethanol.
>
> Anthony
>
> On Wed, Dec 13, 2017 at 11:24 PM, sanjeev kumar
> wrote:
>
>> Hi all,
>> Can someone suggest what could
Matt,
Modeling two molecules that occupy overlapping binding sites in a structure
simply involves designating them as alternate conformers, with the same chain
and residue number, and an occupancy that sums to 1.0. For example, if you have
an AMP and an ADP that occupy the same binding site,
Only two comments:
a. At that resolution, constrained group occupancy refinement should work
reasonably well (provided you can model the 2 entities). Then you also do not
have clashes between the molecules, because Occ(A)+Occ(B)=1, meaning when one
(A) is there, the other one (B) is
It’s definitely possible to have a superposition of states:
https://www.ncbi.nlm.nih.gov/m/pubmed/28291761/
You need to use alternate conformers to generate the different states of the
crystal.
Thanks,
Nick
On 13 Dec 2017, at 20:12, Matthew Bratkowski
Hello all,
I am working on a ligand binds near the active site of the protein, such
that part of the ligand would clash with part of the natural substrate. I
recently co-crystallized the enzyme with both molecules and solved the
crystal structure to high resolution (around 1.4 angstrom).
Hi Tommy,
Try ACHESYM, it is very useful:
http://achesym.ibch.poznan.pl/
Here is the link to the publication:
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257622/
Good luck,
Bartosz
Wouldn't the PISA server do something like this?
JPK
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Kajander,
Tommi A
Sent: Wednesday, December 13, 2017 8:50 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] coordinate transformation
Hello,
If someone could point this out
Hello,
If someone could point this out would be very helpful... Wasnt there a simple
script somewhere that would transfer coordinates close to origin - if they for
some reason are not? Just cant find anything right away. Sure i have done this
before...
Thanks,
Tommi
you can try the 'hide cell' command. This should hide the unit cell box,
however, I don't know why it is not displayed in your 'unrendered' gui...
Cheers,
Johannes
2017-12-11 23:47 GMT+01:00 Cygler, Miroslaw :
> Hi,
> When I loaded the ed map into PyMol v1.8.4.1 and
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