Basically, you need to fix the path in some way so that the CCP4 one comes
first.
^^^^^^^^^^^
The ccp4 setup file contains a variable 'ccp4_first_in_path' which you can
set to one to ensure ccp4 is 'first in path'. You also need to 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: [email protected]
Subject: [ccp4bb] ncs phased refinement
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
-0.567 -0.405 0.717
-0.385 -0.639 -0.665
0.728 -0.654 0.206
PATTERSON SPHERICAL POLARS OMEGA PHI CHI OMEGA TO AXIS ZO PHI FROM AXIS
XO TO AXIS YO
WHEN BETA=0 CAN ONLY DEFINE ALPHA + GAMMA .
WHEN BETA = 180 CAN ONLY DEFINE GAMMA - ALPHA.
CROWTHER ALPHA BETA GAMMA 137.15697 -78.11038 41.90139
SPHERICAL POLARS OMEGA PHI CHI 39.04911 -42.37222 179.26884
DIRECTION COSINES OF ROTATION AXIS 0.46554 -0.42468 0.77661
Angle between rotation axis and Centroid vector 87.88194
***** Note: Since this angle between rotation axis and Centroid vector is
near to 90.0 this may represent a pure rotation ***
LSQKAB: Normal Termination
Times: User: 0.0s System: 0.0s Elapsed: 0:00
</pre>
</html>
------------- NCS Mask -------------------
unable to open phase file
***************************************************************************
* Information from CCP4Interface script
***************************************************************************
The program run with command: ncsmask XYZIN
/home/raja/liang/native/p6522/b-sharpen/b-sharpen_1_12_chainI_pdb.tmp MSKOUT
/home/raja/liang/native/p6522/b-sharpen/b-sharpen_1_15_msk.tmp
has failed with error message
child process exited abnormally
***************************************************************************
#CCP4I TERMINATION STATUS 0 "child process exited abnormally"
#CCP4I TERMINATION TIME 07 Dec 2007 16:13:00
#CCP4I MESSAGE Task failed
Raja Dey, Ph.D.
Research Associate
Molecular and Computational Biology
University of Southern California
1050 Childs Way, Los Angeles, CA 90089
---------------------------------
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