Re: [ccp4bb] omit map

2014-11-27 Thread Tim Gruene
Dear Rohit Kumar Singh, the ccp4 gui offers 'Calculate Omit Map' and 'Calculate Composite Omit Map' from the 'Map & Mask Utilities' menu. Neither GUI askes for much input and should be run with much further ado. Regards, Tim On Thu, Nov 27, 2014 at 07:05:09PM +0530, rohit kumar wrote: > dear a

[ccp4bb] omit map

2014-11-27 Thread rohit kumar
dear all, can any one tell me how to calculate omit map in ccp4?. -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life Sciences, Jawaharlal Nehru University New Delhi -110067

Re: [ccp4bb] omit map calculation in CCP4

2011-08-11 Thread Vellieux Frederic
sadaf iqbal wrote: Hello everyone, Do anybody know the correct procedure for calculating omit map in CCP4, if one need to reduce the bias from the Molecular Replacement structure. I am confused about the two options, one is fft map calculation while the other is OMIT map calculation in Map &

[ccp4bb] omit map calculation in CCP4

2011-08-11 Thread sadaf iqbal
Hello everyone, Do anybody know the correct procedure for calculating omit map in CCP4, if one need to reduce the bias from the Molecular Replacement structure. I am confused about the two options, one is fft map calculation while the other is OMIT map calculation in Map & Mask Utilities window

Re: [ccp4bb] OMIT map from Sfcheck

2008-04-09 Thread Jovine Luca
te: 4 April 2008 11:33:56 GMT+02:00 To: Jovine Luca <[EMAIL PROTECTED]> Cc: CCP4BB@jiscmail.ac.uk Subject: Re: [ccp4bb] OMIT map from Sfcheck Please try to use sfcheck binaries or source code from my home page: http://www.ysbl.york.ac.uk/~alexei/sfcheck.html Regards Alexei Hopefully upda

Re: [ccp4bb] OMIT map from Sfcheck

2008-04-07 Thread Michael Giffin
my model has 1600 atoms. the memory allocation for the linux (worked) and OS X (failed) binaries is the same: Sol_ Sol_ - Sol_ --- SFCHECK --- /Vers 7.2.02; 01.10.2006/ - Sol_ Memory:

Re: [ccp4bb] OMIT map from Sfcheck

2008-04-04 Thread Alexei Vagin
Please try to use sfcheck binaries or source code from my home page: http://www.ysbl.york.ac.uk/~alexei/sfcheck.html Regards Alexei On 4 Apr 2008, at 09:58, Jovine Luca wrote: On 4 Apr 2008, at 01:36, Michael Giffin wrote: i get the same error on OS X 10.5.2 and 10.4.11: sfcheck -f refm

Re: [ccp4bb] OMIT map from Sfcheck

2008-04-04 Thread Jovine Luca
On 4 Apr 2008, at 01:36, Michael Giffin wrote: i get the same error on OS X 10.5.2 and 10.4.11: sfcheck -f refmac2.mtz -m refmac2.pdb -out y -nomit 2 -map the error: Open failed: Unit: 11, File: sfcheck_scr.dat (logical: sfcheck_scr.da

Re: [ccp4bb] OMIT map from Sfcheck

2008-04-03 Thread Michael Giffin
i get the same error on OS X 10.5.2 and 10.4.11: >sfcheck -f refmac2.mtz -m refmac2.pdb -out y -nomit 2 -map the error: Open failed: Unit: 11, File: sfcheck_scr.dat (logical: sfcheck_scr.dat) Last system error message: Bad file descriptor C

[ccp4bb] OMIT map from Sfcheck

2008-03-27 Thread Kristof Van Hecke
Dear, I'm intending to make an OMIT map using Sfcheck (ccp4i 6.0.2, Mac OS X Tiger, PPC). However, the program terminates with: "has failed with error message 1525-005 1525-005 1525-005 1525-005 1525-005 1525-005 " When using 'command line' from a script (with '-nomit 2 -map -origin - out y

Re: [ccp4bb] omit map on OMIT ccp4 program

2007-02-05 Thread Nikos Pinotsis
[EMAIL PROTECTED] * - Original Message - From: Taiana Oliveira To: CCP4BB@JISCMAIL.AC.UK Sent: Monday, 05 February, 2007 2:52 PM Subject: [ccp4bb] omit map on OMIT ccp4 program Hi everyone!! Does anybody have a example script for OMIT? The sc

[ccp4bb] omit map on OMIT ccp4 program

2007-02-05 Thread Taiana Oliveira
Hi everyone!! Does anybody have a example script for OMIT? The script link present on http://www.ccp4.ac.uk/html/omit.html leads to nowhere... I really appreciate your help! Sincerely, -- Taianá Maia de Oliveira Laboratório de Moléculas Biologicamente Ativas - Biomol-lab Departamento de Bioquím

Re: [ccp4bb] OMIT MAP

2007-02-01 Thread Nikos Pinotsis
89902149 e-mail : [EMAIL PROTECTED] * - Original Message - From: Bruno Matias To: CCP4BB@JISCMAIL.AC.UK Sent: Thursday, 01 February, 2007 3:19 PM Subject: [ccp4bb] OMIT MAP Hi, Does anyone know how calculate omit maps in CCP4? I tried to find Omit

[ccp4bb] OMIT MAP

2007-02-01 Thread Bruno Matias
Hi, Does anyone know how calculate omit maps in CCP4? I tried to find Omit in CCP4 program list, but I did not find it. I am using CCP4 Program Suite 6.0.1.