Re: [ccp4bb] MSA with starting amino acid numbers

2014-02-03 Thread Dilip Badjugar
Hi Martyn, Thank you very much for you suggestions, it worked out for me. But, if I have multiple sequences in alignment, how should I go in that case? Thanking you in advance DCB On Tue, Feb 4, 2014 at 12:14 AM, MARTYN SYMMONS < martainn_oshioma...@btinternet.com> wrote: > Hi Dilip >the n

Re: [ccp4bb] Vector approximation of B-strands

2014-02-03 Thread GRANT MILLS
Hi Napo, Thank you so much, this is exactly what I was looking for. Kind Regards, Grant From: Napoleao Fonseca Valadares [n...@ifsc.usp.br] Sent: 04 February 2014 12:18 To: GRANT MILLS Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Vector approximation of B-stran

Re: [ccp4bb] Vector approximation of B-strands

2014-02-03 Thread Napoleao Fonseca Valadares
Hi Grant, I think pymol's module "AngleBetweenHelices" might be worth checking, at least for some ideas in the code. http://www.pymolwiki.org/index.php/AngleBetweenHelices It has four methods to "fit" the helix, and a couple of them work well with b-strands. Have fun. Regards, Napo -

Re: [ccp4bb] unexplained density

2014-02-03 Thread Dr. Anthony Addlagatta
*** This message has been scanned by the InterScan for CSC SSM by IICT security policy and found to be free of known security risks. *** Dear Annemarie, This could be a reaction product of the PMSF with either tris or alanine (as you have modeled, but yo

[ccp4bb] Vector approximation of B-strands

2014-02-03 Thread GRANT MILLS
Dear all, I'm wanting to simplify B-strands in a PDB and my idea was to create a vector which approximates the alpha carbons through the strand. I was thinking I could use some kind of least squares regression but it gets very complicated when extended into the 3rd dimension. Is there a simpler

Re: [ccp4bb] MSA with starting amino acid numbers

2014-02-03 Thread MARTYN SYMMONS
Hi Dilip    the numbering can be given for the top and the bottom sequence only in ESPRIPT    you enter the command to produce these in the SPECIAL COMMANDS AND CHARACTERS BOX. You only get this box on the server input page if you select the  ADV  version in the header - this is the ADVANCED ver

Re: [ccp4bb] unexplained density

2014-02-03 Thread Pius Padayatti
It looks like a Hepes? Padayatti On Mon, Feb 3, 2014 at 8:37 AM, Annemarie Weber < annemarie.we...@uni-konstanz.de> wrote: > Dear all, > I am refining a 1.4 A resolution structure and found some well-defined but > unfortunately unexplained density. The protein was purified in HEPES buffer > with

Re: [ccp4bb] unexplained density

2014-02-03 Thread Soisson, Stephen M
What does anomalous difference Fourier look like? -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Annemarie Weber Sent: Monday, February 03, 2014 11:37 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] unexplained density Dear all, I am refining a 1.

Re: [ccp4bb] unexplained density

2014-02-03 Thread Boaz Shaanan
Hi, You probably tried it but what happens if you fit in PMSF and refine? Boaz Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer-Sheva 84105 Israel E-mail: bshaa...@bgu.ac.il Phone: 972-8-647-2220 Skype: boaz.shaanan Fax: 972-8-647-2992 or 972-8-64

[ccp4bb] CCP4 crystallographic summer school in USA, at APS, June 24-July 2

2014-02-03 Thread Sanishvili, Ruslan
Dear Colleagues, We are pleased to announce the seventh annual CCP4 crystallographic summer school at Advanced Photon Source (APS), Argonne National Laboratory (ANL). All details can be found at http://www.ccp4.ac.uk/schools/APS-2014/index.php Title:"CCP4 crystallographic school: From data coll

[ccp4bb] autosol error// phaser error

2014-02-03 Thread Almudena Ponce Salvatierra
Hi everyone, I am facing some troubles with PHASER and with AutoSol (things that did not happen earlier to me). I am working with anomalous data and the first thing I do is to run HySS in order to find the heavy atoms sites. Once this is done I have two options: run PHASER or run AutoSol. Phaser

[ccp4bb] Gordon Research Conference On Ligand Recognition & Molecular Gating (23-28 March)

2014-02-03 Thread Albert Guskov
Dear all, may I draw your attention to the following conference announcement: Join us at the 2014 Gordon Conference On Ligand Recognition & Molecular Gating: Structure and Dynamics of Ion Channels, G-protein Coupled Receptors, and Solute Transporters (Ventura, CA March 23-28) The Gordon Research

Re: [ccp4bb] resubmission of pdb

2014-02-03 Thread Faisal Tarique
Thanks everybody for their valuable suggestions.. On 2/3/14, MARTYN SYMMONS wrote: > Yes, thanks Robbie > That is just my point - a structure submitted and then validated for paper > reviewers by the PDB can be changed almost completely after the paper is > accepted. > The data can be changed too

[ccp4bb] PhD position in crystallography in Warsaw

2014-02-03 Thread Marcin Nowotny
Laboratory of Protein Structure at the International Institute of Molecular and Cell Biology (IIMCB) in Warsaw is seeking a Ph D student. IIMCB is one of the leading research institutions in Poland . The successful candidate will be engaged in the European ERC grant related to DNA metabolism, in

Re: [ccp4bb] resubmission of pdb

2014-02-03 Thread MARTYN SYMMONS
Yes, thanks Robbie That is just my point - a structure submitted and then validated for paper reviewers by the PDB can be changed almost completely after the paper is accepted. The data can be changed too and only stipulation seems to be that it cannot be new data i.e. it has to have a date of c