From: WENHE ZHONG
Date: 16 November 2011 11:48
Dear all,
I am using the Molecular Suporpose tool under Coordinate Utilities list in CCP4 to superpose two similar structures. I ticked the "Output all distances to a file" option, selected "Superpose specified atoms/residues", fit "CA atoms of Residues" to the other one. I wanted to see the RMS numbers for each single residue (CA atoms) in the output log file, but I fould many residues are missing in the output. I double checked the output pdb files, the missing residues fit each other very sensible. The input pdb file have been modified with the same start/end residue number and the same toally residues number, they are 100% sequence identity as well. Anybody knows why some residues are missing in the RMS output list? Thank you.
King regards,
Wenhe
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From: Eleanor Dodson
By default it only gives those with rms > mean.
There is an option to ask for all to be output to a separate file..
E
Date: 16 November 2011 11:48
Dear all,
I am using the Molecular Suporpose tool under Coordinate Utilities list in CCP4 to superpose two similar structures. I ticked the "Output all distances to a file" option, selected "Superpose specified atoms/residues", fit "CA atoms of Residues" to the other one. I wanted to see the RMS numbers for each single residue (CA atoms) in the output log file, but I fould many residues are missing in the output. I double checked the output pdb files, the missing residues fit each other very sensible. The input pdb file have been modified with the same start/end residue number and the same toally residues number, they are 100% sequence identity as well. Anybody knows why some residues are missing in the RMS output list? Thank you.
King regards,
Wenhe
----------
From: Eleanor Dodson
By default it only gives those with rms > mean.
There is an option to ask for all to be output to a separate file..
E
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