Dear Wenhe,
Have you looked at the Additional Log File from Superpose?
Cheers,
Clement
-----Original Message-----
From: WENHE ZHONG
Sent: Sunday, October 30, 2016 12:47 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Superpose program in CCP4
Dear all,
I always use the SUPERPOSE tool in CCP4 to superpose molecules. This time I
want to use the RMSD values of superposed C-alpha atoms to plot a RMSD graph
(instead of using the graph automatically made by the program). However,
there are many atoms missing in the RMSD list.
In the settings I chose “Superpose specific atoms/residues”, checked
“Output all distances to a file”, fit “C-alpha atoms”. The superposed
structures have exactly the same sequence.
My question is: is there any way to get the completed list of RMSD value for
each C-alpha atom? Or is there any other program for this purpose?
Thank you!
Kind regards,
Wenhe
