Re: [ccp4bb] Hi

2015-05-28 Thread vijay srivastava
Dear All, I am able to do the superposition of the ligand with suplig.f program and superpose also do the same. Thank you for your valuable suggestions. regardsvijay  Vijay On Tuesday, 26 May 2015 6:11 PM, vijay srivastava vijaytec...@yahoo.co.in wrote: Dear All, I want to

Re: [ccp4bb] Hi

2015-05-26 Thread FOOS Nicolas
De : CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] de la part de vijay srivastava [vijaytec...@yahoo.co.in] Envoyé : mardi 26 mai 2015 14:41 À : CCP4BB@JISCMAIL.AC.UK Objet : [ccp4bb] Hi Dear All, I want to superpose the nucleotide form one GTPase on to the nucleotide of other GTPase

[ccp4bb] Hi

2015-05-26 Thread vijay srivastava
Dear All, I want to superpose the nucleotide form one GTPase on to the nucleotide of other GTPase in order to study the interaction in the nucleotide binding pocket. I tried to superpose but it is superposing on the basis of secondary structure as aresult both the nucleotides from two

Re: [ccp4bb] Hi

2015-05-26 Thread Gert Vriend
On 26/05/15 14:41, vijay srivastava wrote: Dear All, I want to superpose the nucleotide form one GTPase on to the nucleotide of other GTPase in order to study the interaction in the nucleotide binding pocket. I tried to superpose but it is superposing on the basis of secondary structure as a

Re: [ccp4bb] Hi

2015-05-26 Thread chimbiomol
Hi vijay, I think the pymol-based program “legalign” will do what you want: http://compbio.cs.toronto.edu/ligalign/ http://compbio.cs.toronto.edu/ligalign/ Hope this can help, Marco Il giorno 26/mag/2015, alle ore 05:41, vijay srivastava vijaytec...@yahoo.co.in ha scritto: Dear All,

Re: [ccp4bb] Hi

2015-05-26 Thread Dimitry Rodionov
Dear Vijay, Your problem sounds like a job for LigAlign: http://www.pymolwiki.org/index.php/LigAlign Regards, Dmitry On Tue, May 26, 2015 at 8:42 AM vijay srivastava vijaytec...@yahoo.co.in wrote: Dear All, I want to superpose the nucleotide form one GTPase on to the nucleotide of other

Re: [ccp4bb] Hi

2015-05-26 Thread George Devaniranjan
I would suggest biopython. http://combichem.blogspot.com/2013/08/aligning-pdb-structures-with-biopython.html On Tue, May 26, 2015 at 10:25 AM, Dimitry Rodionov d.rodio...@gmail.com wrote: Dear Vijay, Your problem sounds like a job for LigAlign: http://www.pymolwiki.org/index.php/LigAlign

Re: [ccp4bb] Hi

2015-05-26 Thread FOOS Nicolas
] Envoyé : mardi 26 mai 2015 14:56 À : FOOS Nicolas Objet : Re: [ccp4bb] Hi Dear Nicolas, I ahd tried in superpose but it is not alligning and simultaenousli I had given only the pdb containing only the nucleotide but both of them dosen't work. regards Vijay On Tuesday, 26 May 2015 6:22 PM, FOOS

Re: [ccp4bb] Hi

2015-05-26 Thread Zhijie Li
of them (or model a “fresh” one), although I guess for GTP/GDP this should not be a frequent problem. Zhijie From: vijay srivastava Sent: Tuesday, May 26, 2015 8:41 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Hi Dear All, I want to superpose the nucleotide form one GTPase

Re: [ccp4bb] Hi

2015-05-26 Thread Artem Evdokimov
vijaytec...@yahoo.co.in *Sent:* Tuesday, May 26, 2015 8:41 AM *To:* CCP4BB@JISCMAIL.AC.UK *Subject:* [ccp4bb] Hi Dear All, I want to superpose the nucleotide form one GTPase on to the nucleotide of other GTPase in order to study the interaction in the nucleotide binding pocket. I tried

Re: [ccp4bb] Hi

2015-05-26 Thread Shane Caldwell
Hi Vijay, In addition to the suggestions you've already received, the pair_fit command in PyMol is also an easy way to align based on specific atoms. You could use the C-alphas of relevant active site residues, or atoms of the ligand itself, for example. Just be mindful of the bias introduced

[ccp4bb] Hi

2015-05-09 Thread vijay srivastava
Dear All, In coot is there is any option so that we can change the colour of atoms. As in ball and stick model in default it is showing sulphur as green. could we change the colour of atoms  to show carbon in gray, oxygen in red and suphur in yellow. regards Vijay

Re: [ccp4bb] Hi

2015-05-09 Thread vijay srivastava
Dear All, Sorry to disturb you all it can be easily done in ccp4mg. regards Vijay On Saturday, 9 May 2015 4:36 PM, vijay srivastava vijaytec...@yahoo.co.in wrote: Dear All, In coot is there is any option so that we can change the colour of atoms. As in ball and stick model in

Re: [ccp4bb] hi - history of protein crystallization

2014-07-25 Thread vijay srivastava
[mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Sanjit Roy Sent: Thursday, July 24, 2014 15:28 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] hi   Hello to every one   Can any body send me the information in concise form about history of protein crystallization along with what

Re: [ccp4bb] hi - history of protein crystallization (should be : conversion of euler angles)

2014-07-25 Thread Alexandre OURJOUMTSEV
: vendredi 25 juillet 2014 10:59 À : CCP4BB@JISCMAIL.AC.UK Objet : Re: [ccp4bb] hi - history of protein crystallization Dear Dr. Sacha, it is giving following error after typing the command …

[ccp4bb] hi

2014-07-24 Thread Sanjit Roy
Hello to every one Can any body send me the information in concise form about history of protein crystallization along with what is the properties of protein crystal in lattice parameters. Thanks In advance Sanjit Kumar

[ccp4bb] hi

2014-07-24 Thread Sanjit Roy
Hello to every one Can any body send me the information in concise form about history of protein crystallization along with some idea about the properties of protein crystal in lattice parameters. Thanks In advance Sanjit Kumar

Re: [ccp4bb] hi - history of protein crystallization

2014-07-24 Thread Raghurama P Hegde
. HTH Raghu From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Sanjit Roy Sent: Thursday, July 24, 2014 15:28 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] hi Hello to every one Can any body send me the information in concise form about history of protein

Re: [ccp4bb] Hi

2014-07-21 Thread Eleanor Dodson
Yes - is it rot mat? at home so can't check but look at the documentation - I remember it turned any rotation definition into all the other likely ones… Eleanor On 21 Jul 2014, at 05:01, vijay srivastava wrote: Dear All, Is there is any program to convert euler angles into theta, phi and

Re: [ccp4bb] Hi - euler angles conversion

2014-07-21 Thread Alexandre OURJOUMTSEV
:01 À : CCP4BB@JISCMAIL.AC.UK Objet : [ccp4bb] Hi Dear All, Is there is any program to convert euler angles into theta, phi and kappa? regards Vijay

[ccp4bb] Hi

2014-07-20 Thread vijay srivastava
Dear All, Is there is any program to convert euler angles into theta, phi and kappa? regards   Vijay

[ccp4bb] hi.

2013-07-21 Thread Sun Hur
http://divinewisdomatwork.com/ydmqi/xctcmtjcilhcnmmthiljueaugrhxf Sun Hur 7/21/2013 4:35:14 PM

[ccp4bb] AW: [ccp4bb] Hi

2013-06-11 Thread Herman . Schreuder
@JISCMAIL.AC.UK] Im Auftrag von Wei Shi Gesendet: Montag, 10. Juni 2013 20:57 An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] Hi Hi all, I was trying to solve the structure of a protein in several different datasets using xds and phenix. I could solve the structure from one dataset in space group P4

[ccp4bb] Hi

2013-06-10 Thread Wei Shi
Hi all, I was trying to solve the structure of a protein in several different datasets using xds and phenix. I could solve the structure from one dataset in space group P4. For another dataset, I could solve the structure using the monomer of the structure I got from the first dataset as search

Re: [ccp4bb] Hi

2013-06-10 Thread Eleanor Dodson
I don't really understand what your space group is? space group mC??? Eleanor On 10 Jun 2013, at 19:57, Wei Shi wrote: Hi all, I was trying to solve the structure of a protein in several different datasets using xds and phenix. I could solve the structure from one dataset in space group

Re: [ccp4bb] Hi

2013-06-10 Thread Bosch, Juergen
Hi Eleanor, C2 - this was XDS lingo or Bravais talk :-) Jürgen ** LATTICE SYMMETRY IMPLICATED BY SPACE GROUP SYMMETRY ** BRAVAIS-POSSIBLE SPACE-GROUPS FOR PROTEIN CRYSTALS TYPE [SPACE GROUP NUMBER,SYMBOL] aP [1,P1] mP [3,P2] [4,P2(1)] mC,mI

Re: [ccp4bb] Hi

2013-06-10 Thread Bosch, Juergen
The other obvious conclusion would be that dataset #3 is a different protein perhaps ? How about pointless for your third dataset ? Jürgen On Jun 10, 2013, at 2:57 PM, Wei Shi wrote: Hi all, I was trying to solve the structure of a protein in several different datasets using xds and phenix. I

Re: [ccp4bb] Hi

2013-06-10 Thread Bernhard Rupp
I guess Wei means just the lattice symbol, taken from the indexing program? br -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Eleanor Dodson Sent: Monday, June 10, 2013 10:52 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Hi I don't really

[ccp4bb] Hi clashscore

2013-01-23 Thread supratim dey
Hi I am refining my 2 angstrom strucutre using phenix windows based software. After many refinements my clashscore is not at all reducing and showing a value of 12. Can anybody suggest how to reduce the clashscore. Is there any technique to do it. Or i have to deal with each individual clashes

Re: [ccp4bb] Hi clashscore

2013-01-23 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Supratim, I am afraid so, yes, you'll have to do it manually. Model building is the other half of creating a model, and time-wise surely the more time consuming one. On the other hand it is also the more scientific one where you feel less

Re: [ccp4bb] Hi clashscore

2013-01-23 Thread Robbie Joosten
Subject: [ccp4bb] Hi clashscore Hi I am refining my 2 angstrom strucutre using phenix windows based software. After many refinements my clashscore is not at all reducing and showing a value of 12. Can anybody suggest how to reduce the clashscore. Is there any technique to do it. Or i have

[ccp4bb] hi

2012-08-11 Thread Faisal Tarique
Dear all A mtz output from mosflm when fed to SCALA gives information about total no of reflection, uique reflection, R merge, redundancy etc. i have two questions. 1. is there anyway to use sca files from HKL2000 with SCALA. 2. SCALA gives two multiplicity, one along with binary reflection and

[ccp4bb] Hi

2012-07-06 Thread Afshan Begum
Hope you get this on time, I made a trip to Aberdeen in Scotland   and had my bag stolen from me with my passport,cash and credit cards in it. unfortunately for me,I have made contact with my bank but they are not providing a fast solution. I need you to lend me some money to sort my self out

[ccp4bb] hi all

2012-06-27 Thread amro selem
Hi  all , thank you for being new member in this group. i also just stated with my PhD in structural biology at Hamburg University (DESY) . i have no Idea about crystallography . I just go step by step. so please help me to find my way for excellence in structural biology. i appreciate your

Re: [ccp4bb] hi all

2012-06-27 Thread Ed Pozharski
Your question is way to broad to be answered in a reasonable time/space. As for books (plenty of options exist beyond these) There is a 1976 classic http://www.amazon.com/Protein-Crystallography-Molecular-Biology-Series/dp/0121083500 And of course there is a more recent highly recommended

Re: [ccp4bb] hi all

2012-06-27 Thread Arka Chakraborty
Hi, Two educational softwares which might help you (off course in conjunction with books and articles) are 1) XrayView 2)SpacegroupViz Best Arko On Wed, Jun 27, 2012 at 6:22 PM, Ed Pozharski epozh...@umaryland.eduwrote: Your question is way to broad to be answered in a reasonable

[ccp4bb] HI

2012-04-23 Thread aneesh goyal
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Re: [ccp4bb] Hi prep column from GE

2009-02-07 Thread M T
What are the buffer pHs (first and second run), what is the isoelectric point of your protein, have you tried Q column?... You have to give more experimental details to be more precisely helped. Nevertheless, you can find helpful advices in GE healthcare life science Handbooks:

[ccp4bb] Hi prep column from GE

2009-02-06 Thread Michael Colaneri
We have a hi prep SP column from GE. We try to load ~14 mg protein but all goes to FT. We lowered the pH and changed the buffer but no luck. We would appreciate all suggestions. Mike Colaneri

[ccp4bb] hi

2008-08-30 Thread vijay srivastava
hi i am facing problem in cloning,getting my insert and vector at the correct position after digestion but after ligation colony is not coming and if how it is coming than i am not getting my insert   Add more friends to your messenger and enjoy! Go to

Re: [ccp4bb] hi

2008-08-30 Thread Frank von Delft
vijay srivastava wrote: hi i am facing problem in cloning,getting my insert and vector at the correct position after digestion but after ligation colony is not coming and if how it is coming than i am not getting my insert That sux. phx.

Re: [ccp4bb] hi

2008-08-30 Thread Frank von Delft
PS. Sorry, couldn't resist. But seriously, for those new to the list: if you want someone to spend time writing a useful answer, then you need to spend time formulating a useful question. Good: specific questions with sufficient background given Bad: general questions which are best answered

Re: [ccp4bb] hi

2008-08-30 Thread Artem Evdokimov
details to suggest something reasonable. Artem -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Frank von Delft Sent: Saturday, August 30, 2008 7:24 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] hi PS. Sorry, couldn't resist. But seriously, for those

[ccp4bb] AW: [ccp4bb] hi / cloning stuff

2008-08-30 Thread Jan Schoepe
srivastava [EMAIL PROTECTED] schrieb am Sa, 30.8.2008: Von: vijay srivastava [EMAIL PROTECTED] Betreff: [ccp4bb] hi An: CCP4BB@JISCMAIL.AC.UK Datum: Samstag, 30. August 2008, 13:04 hi i am facing problem in cloning,getting my insert and vector at the correct position after digestion but after

Re: [ccp4bb] AW: [ccp4bb] hi / cloning stuff

2008-08-30 Thread Sridhar Prasad
before you click on the send icon on your computer with derogatory remarks. Thanks Sridhar Prasad -Original Message- From: CCP4 bulletin board on behalf of Jan Schoepe Sent: Sat 8/30/2008 8:52 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] AW: [ccp4bb] hi / cloning stuff Hi, I think your

Re: [ccp4bb] AW: [ccp4bb] hi / cloning stuff

2008-08-30 Thread Dima Klenchin
textbooks). Good luck! Jan --- vijay srivastava [EMAIL PROTECTED] schrieb am Sa, 30.8.2008: Von: vijay srivastava [EMAIL PROTECTED] Betreff: [ccp4bb] hi An: CCP4BB@JISCMAIL.AC.UK Datum: Samstag, 30. August 2008, 13:04 hi i am facing problem in cloning,getting my insert and vector at the correct