Re: [ccp4bb] ncs phased refinement

2007-12-10 Thread Eleanor Dodson
Not enough information! Does the XYZIN file exist? Eleanor Raja Dey wrote: Hi All, I was trying to run NCS Phased refinement in the gui of CCP4 (Refmac_5.2.0005) and getting the following error. I just pasted below the last part of the log file. Any help is

Re: [ccp4bb] ncs phased refinement

2007-12-08 Thread Tim Gruene
make sure that this setup file is sourced after you set up the path for XtalView. Tim > HTH Martyn -Original Message- From: CCP4 bulletin board on behalf of Raja Dey Sent: Sat 12/8/2007 12:39 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] ncs phased refinement Hi All,

Re: [ccp4bb] ncs phased refinement

2007-12-08 Thread Winn, MD (Martyn)
a ncsmask" HTH Martyn -Original Message- From: CCP4 bulletin board on behalf of Raja Dey Sent: Sat 12/8/2007 12:39 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] ncs phased refinement Hi All, I was trying to run NCS Phased refinemen

[ccp4bb] ncs phased refinement

2007-12-07 Thread Raja Dey
Hi All, I was trying to run NCS Phased refinement in the gui of CCP4 (Refmac_5.2.0005) and getting the following error. I just pasted below the last part of the log file. Any help is greatly appreciated. Tarak ROTATION MATRIX -0.5

Re: [ccp4bb] NCS Phased Refinement

2007-02-22 Thread Roberto Steiner
Clinic Cancer Center Griffin Cancer Research Building, Rm 310 4500 San Pablo Road Jacksonville, FL 32224 (904) 953-6372 (office) (904) 953-2857 (lab) -Original Message- From: Eleanor Dodson [mailto:[EMAIL PROTECTED] Sent: Thu 2/22/2007 3:42 AM To: Radisky, Evette S. Ph.D. Cc: CCP4BB@ji

Re: [ccp4bb] NCS Phased Refinement

2007-02-22 Thread Radisky, Evette S. Ph.D.
iginal Message- From: Eleanor Dodson [mailto:[EMAIL PROTECTED] Sent: Thu 2/22/2007 3:42 AM To: Radisky, Evette S. Ph.D. Cc: CCP4BB@jiscmail.ac.uk Subject: Re: [ccp4bb] NCS Phased Refinement Well - the idea of NCS refinement is to restrain the 2 NCS related models to be the same so that i

Re: [ccp4bb] NCS Phased Refinement

2007-02-22 Thread Eleanor Dodson
Well - the idea of NCS refinement is to restrain the 2 NCS related models to be the same so that is problematic if they should be somewhat diffeent.. You can get the matrix using SSM superposition ( see the GUi - superpose molecules) This will match using Secondary structure and give a list of

[ccp4bb] NCS Phased Refinement

2007-02-21 Thread Radisky, Evette S. Ph.D.
I have some questions about the "NCS Phased Refinement" task run from ccp4i: Can one use this task if there are multiple nonidentical chains in the NCS unit (e.g. a heterodimer), and if so, how does one define the NCS units? I find that the default is to consider each chain as a separate "NCS uni