[ccp4bb] Reminder and Extension - Survey on Data Standards and Databases in Molecular Biophysics

2022-03-04 Thread Jan Dohnalek
;* We appreciate your answers The survey will close on 4 March 2022 *Feel free to contact us at mosbri-d...@ibt.cas.cz * Jan Dohnálek & Jan Stránský for the team of Standards for data archiving & exploitation MOSBRI -- Jan Dohnalek, Ph.D Institute of Biotechnology Academy of Science

[ccp4bb] Survey on Data Standards and Databases in Molecular Biophysics

2022-02-07 Thread Jan Dohnalek
e your answers The survey will close on 4 March 2022 *Feel free to contact us at mosbri-d...@ibt.cas.cz * Jan Dohnálek & Jan Stránský for the team of Standards for data archiving & exploitation MOSBRI -- Jan Dohnalek, Ph.D Institute of Biotechnology Academy of Sciences of the Czech R

Re: [ccp4bb] Validation of structure prediction

2022-01-17 Thread Jan Dohnalek
--- >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 >> > > -- > > To

Re: [ccp4bb] AW: [ccp4bb] Antwort: Re: [ccp4bb] chain on 2-fold axis?

2021-08-31 Thread Jan Dohnalek
://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 > > This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a > mailing list hosted by www.jiscmail.ac.uk, terms & conditions are > available at https://www.jiscmail.ac.uk/policyandsec

Re: [ccp4bb] off-topic: structural motif / domain comparison

2021-08-06 Thread Jan Dohnalek
uctures? > > BRs > > Sam > > -- > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 > -- Jan Dohnalek, Ph.D Institute of Biotechnology Academy of Sciences of the Czech Re

Re: [ccp4bb] Open position - data management in biophysics

2021-01-22 Thread Jan Dohnalek
roject leader to decide such things, as Eleanor has stated, they > should absolutely be applauded for that. > > After all, as Frank said, we do this for the science, and it shouldn’t > need to include personal sacrifice. > > Nick > > On 22 Jan 2021, at 11:18, Pearce, N.M. (Nick) wrote: &g

Re: [ccp4bb] Open position - data management in biophysics

2021-01-22 Thread Jan Dohnalek
h other lab >> members. Applicants should include a short statement of research >> goals, CV >> and three references with their application. >> >> >> >> >> To unsubscribe from the

Re: [ccp4bb] Coming July 29: Improved Carbohydrate Data at the PDB -- N-glycans are now separate chains if more than one residue

2020-12-03 Thread Jan Dohnalek
We also recently encountered this way of coordinates treatment - did not find it useful but just left it as it was (life has other more exciting adventures waiting ...). I strongly support the solution suggested by Luca, A nice day to all, Jan Dohnalek On Fri, Dec 4, 2020 at 8:48 AM Luca

Re: [ccp4bb] metal coordination at low resolution - restraints

2020-09-08 Thread Jan Dohnalek
; > Vaheh > > > > *From:* CCP4 bulletin board * On Behalf Of *Jan > Dohnalek > *Sent:* Tuesday, September 8, 2020 8:01 AM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] metal coordination at low resolution - restraints > > > > Hi Garib, > &

Re: [ccp4bb] metal coordination at low resolution - restraints

2020-09-08 Thread Jan Dohnalek
Hi Garib, > > On 8 Sep 2020, at 11:39, Jan Dohnalek wrote: > > These are structural. > > > Are they tetrahedral or octahedral? From the list of neighbours they do > not look like tetrahedral. Some of them do look like octahedral. > > They are involved in reaction

Re: [ccp4bb] metal coordination at low resolution - restraints

2020-09-08 Thread Jan Dohnalek
>> > I noticed that in phenix it is possible to generate restraints with >> readyset but >> > I'd like to work with refmac. >> > >> > Many thanks for your suggestions. >> > >> > Cheers, >> > Anna &

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] dewar horror stories

2020-06-25 Thread Jan Dohnalek
of > our customs declarations for Switzerland. That was then the last Dewar we > sent by FEDEX. > > > > Best, > > Herman > > > > *Von:* CCP4 bulletin board *Im Auftrag von *Jan > Dohnalek > *Gesendet:* Donnerstag, 25. Juni 2020 08:34 > *An:* CCP4BB@JIS

Re: [ccp4bb] dewar horror stories

2020-06-25 Thread Jan Dohnalek
> > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 > -- Jan Dohnalek, Ph.D Institute of Biotechnology Academy of S

[ccp4bb] Project applications to CMS, IBT Biocev - Covid-19

2020-03-26 Thread Jan Dohnalek
*, and no financial contribution will be requested for the measurement/service. Stay safe The CMS team http://www.ibt.cas.cz/core-facility/CMS/index.html -- Jan Dohnalek, Ph.D Institute of Biotechnology Academy of Sciences of the Czech Republic Biocev Prumyslova 595 252 50 Vestec near Prague Czech

Re: [ccp4bb] Figure of merit in refinement

2019-10-17 Thread Jan Dohnalek
mbridge Institute for Medical Research Tel: + 44 1223 336500 > The Keith Peters Building Fax: + 44 1223 > 336827 > Hills Road E-mail: > rj...@cam.ac.uk > Cambridge CB2 0XY, U.K. > www-structmed.cimr.cam.ac.uk > > > > -- &

Re: [ccp4bb] Can H-clashes be ignored ?

2018-08-20 Thread Jan Dohnalek
serious H-clash is checked, otherwise mostly not. Jan Dohnalek On Fri, Aug 17, 2018 at 6:27 PM Firdous Tarique wrote: > Hello everyone. > > I have a basic question. When a validation report of a coordinate is > generated we often come across a term known as "Too-Close Co

[ccp4bb] Course on fragment screening using crystallography laboratory equipment

2018-01-22 Thread Jan Dohnalek
://www.biocev.eu/event/instruct-ciisb-fragment-screening-course/ or the attached file for details. *Apply before February 9 2018 to frederic.velli...@ibt.cas.cz <frederic.velli...@ibt.cas.cz>.* Jan Dohnalek Institute of Biotechnology, Biocev Centre of Molecular Structure -- Jan Dohnalek

Re: [ccp4bb] Glycoprotein expression question

2017-04-12 Thread Jan Dohnalek
fkristallamt.org/ > > b...@hofkristallamt.org > > +1 925 209 7429 <(925)%20209-7429> > > +43 767 571 0536 <+43%207675%20710536> > > -- > > :(){ :|: & };: > > -

Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-30 Thread Jan Dohnalek
are losing contrast quite a bit between the really serious issues on ... all the other. Jan Dohnalek On Wed, Nov 30, 2016 at 2:33 AM, dusan turk <dusan.t...@ijs.si> wrote: > Guys, > > I have a two issues to add here: > > 1. RSZS validation does not tolerate chain IDs longer

Re: [ccp4bb] PAD images

2015-04-28 Thread Jan Dohnalek
. The man who walks alone will find himself in places where no one has been before. - -- Jan Dohnalek, Ph.D Institute of Biotechnology Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam

[ccp4bb] Position of a manager of central laboratories

2014-08-20 Thread Jan Dohnalek
questions via email. Jan Dohnalek Guarantor of CMS, Biocev Coordinator of Central facilities -- Jan Dohnalek, Ph.D Institute of Biotechnology Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 340

Re: [ccp4bb] Validity of Ion Sites in PDB

2014-03-07 Thread Jan Dohnalek
to teach in my lectures). Therefore also an easy and uniformly reliable evaluation of ion sites in the PDB is not possible (too many details to be included in the analysis which are not part of the PDB record). In many cases though it is fairly easy to say wrong ion. Jan Dohnalek IBT Prague On Fri

Re: [ccp4bb] Strange diffraction image

2012-10-12 Thread Jan Dohnalek
not be protein diffraction. I never saw so strange images like this. Does anyone know what it is? Is it a kind of salt diffraction? Thank you very much Chang -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6

Re: [ccp4bb] On maps and doubts

2012-10-12 Thread Jan Dohnalek
phased with a molecular replacement solution? Thank you very much in advance. -- Israel Sanchez Fernandez PhD Ramakrishnan-lab MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 0QH, UK -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences

Re: [ccp4bb] Phaser Fatal runtime error.

2012-06-27 Thread Jan Dohnalek
Data from Crysalis in mtz format are not merged I think - you have to go through the scale and merge step in Scala first ... Jan Dohnalek On Tue, Jun 26, 2012 at 11:21 PM, Steiner, Roberto roberto.stei...@kcl.ac.uk wrote: Don't know where the exact problem is. However, it is definitely

[ccp4bb] Drawing plt and libXaw lib

2012-05-17 Thread Jan Dohnalek
is in the system - the 64 bit version though. Anybody knows the way out? Jan Dohnalek -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 340 Fax: +420 296 809 410

Re: [ccp4bb] resolution on PDB web page

2012-04-25 Thread Jan Dohnalek
http://www.cnb.csic.es/~mjvanraaij On 25 Apr 2012, at 09:41, Jan Dohnalek wrote: There have been other manipulations with user-input values. We could not input solvent content 83% for 3cg8 (the real value!!!) as being out of the allowed range. The resulting value in the PDB is NULL

Re: [ccp4bb] Any calculation function in CCP4 to analyze coordinate file?

2012-02-27 Thread Jan Dohnalek
/ligand, the total atoms of protein/water/ligand, the average b-factor of protein/water/ligand, the number of residues which have alternative side chians, and so on. Thank you. King regards, Wenhe -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech

Re: [ccp4bb] Postdoctoral position in structure-function studies of enzymes for biotechnologies

2012-02-27 Thread Jan Dohnalek
Apologies - the limiting date for PhD title is different, as stated here: The applicant has received PhD degree after March 28, 2008. Jan Dohnalek IMC Prague On Sun, Feb 26, 2012 at 9:52 PM, Jan Dohnalek dohnalek...@gmail.com wrote: DEADLINE APPROACHING! Our group has been involved

[ccp4bb] Postdoctoral position in structure-function studies of enzymes for biotechnologies

2012-02-26 Thread Jan Dohnalek
/aktuality.htm?id=97 The deadline for full applications is February 29! Jan Dohnalek IMC Prague -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 390 Fax: +420 296 809 410

[ccp4bb] Postdoctoral positions in protein crystallography, computational and biophysical techniques

2012-02-03 Thread Jan Dohnalek
, fixed term, 3 years, starting 1st July 2012, EU funded via the Czech Ministry of Education. Please, send your expression of interest via e-mail as soon as possible to myself at dohnalek...@gmail.com. You will receive further details necessary for a full application. -- Jan Dohnalek, Ph.D

Re: [ccp4bb] Disappearing crystals

2011-11-28 Thread Jan Dohnalek
. So I was wondering what happened and if anyone experienced this before. Any insight or advice on what to do would be greatly appreciated. Thanks Christine Small 5 days later -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences

Re: [ccp4bb] image compression

2011-11-07 Thread Jan Dohnalek
compression format for our type of data - our data sets have some very typical repetitive features so they can be very likely compressed as a whole set without loosing information (differential compression in the series) but this needs experts .. Jan Dohnalek On Tue, Nov 8, 2011 at 8:19 AM, Miguel

[ccp4bb] Installation of CCP4 under Windows 7

2011-11-03 Thread Jan Dohnalek
-- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 390 Fax: +420 296 809 410

Re: [ccp4bb] should the final model be refined against full datset

2011-10-14 Thread Jan Dohnalek
wrote: The deposited R-free sets in the PDB are quite frequently 'unfree' or the wrong set was deposited (checking this is one of the recommendations in the VTF report in Structure). So at the moment you would probably get away with depositing an unfree R-free set ;) -- Jan Dohnalek, Ph.D

[ccp4bb] CCP4MG 2.5.0 troublesome start

2011-09-06 Thread Jan Dohnalek
ideas? Jan -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 390 Fax: +420 296 809 410

Re: [ccp4bb] Trying to digest PISA results

2011-09-01 Thread Jan Dohnalek
. This enzyme also is dimer according to gel filtration. Could anyone ellaborate on this please, if they feel like they have the time... Cheers -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic

Re: [ccp4bb] Trying to digest PISA results

2011-09-01 Thread Jan Dohnalek
is biologically relevant. I wish we had a method that delivers a reliable answer regarding the real state of any protein studied... Jan On Thu, Sep 1, 2011 at 8:41 AM, Ethan Merritt merr...@u.washington.eduwrote: On Wednesday, 31 August 2011, Jan Dohnalek wrote: Wasn't the original question

Re: [ccp4bb] Do manufacturers change their crystallogenesis screens?

2011-08-31 Thread Jan Dohnalek
Chris Morris chris.mor...@stfc.ac.uk Tel: +44 1925 603689 Fax: +44 1925 603825 Mobile: 07921-717915 http://pims.instruct-fp7.eu/ STFC, Daresbury Lab, Daresbury, Warrington, UK, WA4 4AD -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech

[ccp4bb] SLOW CCP4 Interface

2011-07-21 Thread Jan Dohnalek
Dear all, my ccp4 interface 6.1.3 became REALLY slow in response on a new i7 PC with Fedora core 15 2.6.38.8-35.fc15.x86_64 . Any ideas where to go from here? Jan Dohnalek -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2

Re: [ccp4bb] SLOW CCP4 Interface

2011-07-21 Thread Jan Dohnalek
Was a SELinux issue. Jan Dohnalek On Thu, Jul 21, 2011 at 1:44 PM, Jan Dohnalek dohnalek...@gmail.com wrote: Dear all, my ccp4 interface 6.1.3 became REALLY slow in response on a new i7 PC with Fedora core 15 2.6.38.8-35.fc15.x86_64 . Any ideas where to go from here? Jan Dohnalek

Re: [ccp4bb] Follow-up: non-waters among structured solvent atoms

2011-06-16 Thread Jan Dohnalek
. But if they are not, they are among the strongest diffracting 10% of the expected number of solvent atoms. I have reasonable doubt that they are all waters. Heck, based on my assumptions, many of them probably ARE NOT water. I welcome your opinions. Wolfram Tempel -- Jan Dohnalek, Ph.D Institute of Macromolecular

Re: [ccp4bb] Criteria For Solvent Components

2011-06-15 Thread Jan Dohnalek
Medical Scientist Training Program cel: 773.608.9185 email: j-kell...@northwestern.edu *** -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296

Re: [ccp4bb] Problems in refinement

2011-05-27 Thread Jan Dohnalek
not investigate much further as most of the time use of two or three versions gave us a good picture of what's going on ..probably a feature which would disappear with newer versions anyway. What's the version of Refmac you use, Petr? Jan Dohnalek On Thu, May 26, 2011 at 12:11 PM, Petr Kolenko kole

[ccp4bb] UNESCO/IUPAC course 2011/12

2011-02-04 Thread Jan Dohnalek
and participants status, etc. can be found at: http://www.imc.cas.cz/unesco/index.html as well as instructions regarding conditions and applications. Jan Dohnalek IMC Prague -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206

[ccp4bb] Older cryocooling system

2011-01-13 Thread Jan Dohnalek
Would anybody offer an older crystal cooling system to go? -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 390 Fax: +420 296 809 410

Re: [ccp4bb] Off-topic: hollow protein crystals

2010-06-03 Thread Jan Dohnalek
Many times. Jan Dohnalek On Wed, Jun 2, 2010 at 9:07 PM, Andre Ambrosio andre.ambro...@cebime.org.br wrote: Dear all, We have recently obtained crystals from a small protein, and interestingly, at least for me, they are hollow trigonal rods (please see pictures attached). Just out

Re: [ccp4bb] Clarification and another question . . .

2010-05-10 Thread Jan Dohnalek
(profit) margins would be nominal? Is your assessment of very low margins based on assumed very high costs? Jack -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 390 Fax

Re: [ccp4bb] Micro-g Crystal Growth and the literature

2010-05-10 Thread Jan Dohnalek
-- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 390 Fax: +420 296 809 410

Re: [ccp4bb] Distinguishing Between Na+ and H2O

2010-02-18 Thread Jan Dohnalek
lab: 847.491.2438 cel: 773.608.9185 email: j-kell...@northwestern.edu *** -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 390 Fax

[ccp4bb] Example of a good crystallization facility design?

2010-02-16 Thread Jan Dohnalek
not mean robotic setups by this .. Jan Dohnalek, IMC Prague -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 390 Fax: +420 296 809 410

Re: [ccp4bb] Distinguishing Between Na+ and H2O

2010-02-16 Thread Jan Dohnalek
Scientist Training Program Dallos Laboratory F. Searle 1-240 2240 Campus Drive Evanston IL 60208 lab: 847.491.2438 cel: 773.608.9185 email: j-kell...@northwestern.edu *** -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry

[ccp4bb] Refmac and links between ligands

2010-02-01 Thread Jan Dohnalek
the LINK records newly created for these atoms. The actual distances look pretty much as if they were restrained ... Is there a way to make Refmac ignore these links? Jan Dohnalek -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho

Re: [ccp4bb] Refmac and links between ligands

2010-02-01 Thread Jan Dohnalek
Problem solved. One must also switch to the make sugar NO keyword. Otherwise Refmac tries to use the discovered sugar and ion as if it was sugar-peptide bond. Jan Dohnalek On Mon, Feb 1, 2010 at 2:52 PM, Jan Dohnalek dohnalek...@gmail.com wrote: Dear all I understand that when I use

Re: [ccp4bb] SHELXL eating REFMAC5 waters - whom to trust?

2009-11-13 Thread Jan Dohnalek
)? Any help is highly appreciated! Thank you in advance, Wulf -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 390 Fax: +420 296 809 410

[ccp4bb] Special position refinement

2009-11-04 Thread Jan Dohnalek
Dear all, we have seen again with the 5.5.0102 version that water O or Fe ion are not held on the crystallographic axis automatically. What should we do except using possibly the restrain keyword? Jan Dohnalek -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences

[ccp4bb] Discussion workshop on Eukaryotic Expression - last call

2009-10-16 Thread Jan Dohnalek
. Jan Dohnalek, Institute of Macromolecular Chemistry, Prague, Tel: +420 296809390 Ondrej Vanek, Institute of Microbiology, Prague Workshop organizers DiscussionWorkshoponEukaryoticExpression_Prague26Oct2009.pdf Description: Adobe PDF document

[ccp4bb] Discussion workshop on Eukaryotic expression

2009-09-23 Thread Jan Dohnalek
provide a limited assistance with finding your hotel accommodation in Prague. Jan Dohnalek, Institute of Macromolecular Chemistry, Prague, Tel: +420 296809390 Ondrej Vanek, Institute of Microbiology, Prague Workshop organizers DiscussionWorkshoponEukaryoticExpression_Prague26Oct2009_preliminary.pdf

[ccp4bb] refmac twin operator problems

2009-06-30 Thread Jan Dohnalek
-- == Mr. Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Laboratory of Structural Analysis of Molecules Heyrovskeho nam. 2 16206 Prague 6 Tel: +420 296809390 Fax: +420 296809410 http://protein.awardspace.com/ ==

[ccp4bb] TeachSG workshop Expertise in Macromolecular Structure Refinement in Prague April 3-4

2009-02-18 Thread Jan Dohnalek
This is a reminder - the application deadline is approaching - 24th February. Jan Dohnalek A two-day workshop focused on both the basics and the current development in macromolecular single crystal structure refinement techniques will be held in Prague on April 3-4 2009. The workshop

[ccp4bb] TeachSG workshop Expertise in Macromolecular Structure Refinement in Prague April 3-4

2009-02-03 Thread Jan Dohnalek
an e-mail to myself (Jan Dohnalek, cc: dusk...@imc.cas.cz) containing a motivation letter (within the e-mail message is OK), a letter of support from your supervisor or head of group, and a short professional CV (one page). It should be clear from your documents why participation in such workshop

Re: [ccp4bb] [SPAM:#] [ccp4bb] O/T: can a protein which dimerizes in solution crystallize as a monomer?

2008-12-11 Thread Jan Dohnalek
their crystals to really behave like solids (stability, localization of disordered regions, etc.) no need for cryoprotection and it is hard to make them ... Jan Dohnalek IMC Prague Jayashankar wrote: Here we are dealing with two different state of chemistry, solid state and solution state, If one

[ccp4bb] Topp fails: TOP: Open failed: File: /people/...../myfile.pdb

2008-09-17 Thread Jan Dohnalek
. I have tried moving to various Linux versions (64bit,32bit, var. levels of Fedora or RHEL) Any ideas? Jan Dohnalek -- == Mr. Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Laboratory of Structural

Re: [ccp4bb] How to obtain an oca file?

2008-05-05 Thread Jan Dohnalek
We miss the MSD target service a lot. Is there a real reason why it's gone? Jan Dohnalek Eleanor Dodson wrote: Thwe MSD target service has gone, and that was the way I created oca files comparing sequences? Is there another web site which will give back the same format? Eleanor

[ccp4bb] Douglas Instruments Oryx crystallisation robots

2007-06-01 Thread Jan Dohnalek
We are thinking about getting the Oryx8 robot (Douglas Instruments) for crystallisation experiments. Is anyone out there with any kind of experience with these? Jan Dohnalek IMC Prague

[ccp4bb] TeachSG Workshop on ligand searching and docking in Prague

2007-05-17 Thread Jan Dohnalek
expression of interest explaining the reason for participation, and a letter of support from their group or laboratory head. The applications should be send by e-mail to Sarit Goren [EMAIL PROTECTED])or to Jan Dohnalek ([EMAIL PROTECTED]) as soon as possible. The participants have to fund their travel