[ccp4bb] Protein-Protein Interaction prediction

2018-03-01 Thread Sayli Dalal
Dear all,

Can anyone help me with a web server  or method for prediction of
interfaces for protein-protein interaction?

Thanks and best regards,

Sayli Dalal
Post-Doctoral Fellow
Dept. of Biophysics
NIMHANS


Re: [ccp4bb] phenix refinement about cis-proline

2018-03-01 Thread Nigel Moriarty
Shijun

You can ask all the questions you like about Phenix on PhenixBB. However,
to answer your question, you can set all peptides to trans using

apply_all_trans=True

or more specific control using

apply_cis_trans_specification {

cis_trans_mod = cis *trans

residue_selection = None

  }

to any number of peptides.

Cheers

Nigel

---
Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709 Email : nwmoria...@lbl.gov
Fax   : 510-486-5909   Web  : CCI.LBL.gov

On Thu, Mar 1, 2018 at 10:58 PM, 张士军 <21620150150...@stu.xmu.edu.cn> wrote:

> Dear all
>
>I am refining a structure which has cis-Pro and trans-Pro, the tans-Pro
> is gone when I set the "threshold degrees for cis-peptide " from default 45
> to 65, but still has cis-Pro. While no significant change when I set it to
> 15. My question is how to set in phenix refinement to clear the Pro
> residues in cis- or trans- conformations.
>
> Best Regards
>
> shijun
>


[ccp4bb] phenix refinement about cis-proline

2018-03-01 Thread 张士军
Dear all

   I am refining a structure which has cis-Pro and trans-Pro, the tans-Pro is 
gone when I set the "threshold degrees for cis-peptide " from default 45 to 65, 
but still has cis-Pro. While no significant change when I set it to 15. My 
question is how to set in phenix refinement to clear the Pro residues in cis- 
or trans- conformations.

Best Regards

shijun  

[ccp4bb] Scalable and Reproducible Structural Bioinformatics Workshop & Hackathon 2018

2018-03-01 Thread Peter Rose
We are pleased to announce the second MMTF workshop:  *Scalable and
Reproducible Structural Bioinformatics Workshop & Hackathon 2018. *This
workshop will be held May 7 – 9, 2018 at the University of California, San
Diego and hosted by the Structural Bioinformatics Laboratory at the San
Diego Supercomputer Center.

*Sponsorship *This workshop is sponsored by the NIH Big Data to Knowledge
(BD2K) initiative. Air travel and 4-day lodging can be provided for
non-commercial participants, including a limited number of international
participants. Applicants will be selected based on the best fit to the
program on a rolling basis.

*Apply now to secure your place in the workshop.*

https://www.eiseverywhere.com/mmtfworkshop2018/

*Application deadline: April 1, 2018.*

This 3-day hands-on workshop and hackathon introduces you to:

·  Application of state-of-the-art Big Data technologies to Structural
Bioinformatics

·  Data mining and machine learning

·  2D/3D visualization and deployment in Jupyter Notebooks



The first two days of the workshop combine lectures, hands-on applications,
and programming sessions. On the third day, participants apply the new
technologies to their own projects.



This workshop is aimed at graduate students, postdocs, staff, faculty,
industrial researchers, and scientific software developers. Experience with
Python is required.


-- 
Peter Rose, Ph.D.
Director, Structural Bioinformatics Laboratory
San Diego Supercomputer Center
UC San Diego
+1-858-822-5497


[ccp4bb] Job opening at Merck in Kenilworth, NJ

2018-03-01 Thread Strickland, Corey
All,

  We have an open position for a protein crystallographer with significant 
experience.  The position is located in our Kenilworth, NJ Structural Sciences 
group.  For the complete job description and to apply see the link below.

Sincerely,
Corey
_
Corey Strickland, Ph.D.
Director, Structural Sciences
Merck Research Labs
2015 Galloping Hill Road
Kenilworth, NJ 07033



https://taleo.msd.com/careersection/merck_external_career_section/jobdetail.ftl?job=CHE005843=en_id=mailto#.Wo81uGShbtc.mailto
Notice:  This e-mail message, together with any attachments, contains
information of Merck & Co., Inc. (2000 Galloping Hill Road, Kenilworth,
New Jersey, USA 07033), and/or its affiliates Direct contact information
for affiliates is available at 
http://www.merck.com/contact/contacts.html) that may be confidential,
proprietary copyrighted and/or legally privileged. It is intended solely
for the use of the individual or entity named on this message. If you are
not the intended recipient, and have received this message in error,
please notify us immediately by reply e-mail and then delete it from 
your system.


[ccp4bb] An overview of our crystallographic science

2018-03-01 Thread Jrh Gmail

Dear Colleagues,
I prepared this overview of our crystallographic science in Biosciences Reports 
at the invitation of the Biochemical Society, which I imagine you would be 
interested in:-
http://www.bioscirep.org/content/37/4/BSR20170204
It is open access.
All best wishes,
John 

Emeritus Professor John R Helliwell DSc