Calculate average B-factor?
Dear all, I am just wondering whether there is a command line tool in phenix that calculates the average B-factor of a PDB file? Can it deal with the ANISOU records (from TLS refinement or not) properly? I looked into previous posts but the --show-adp-statistics option in phenix.pdbtools seems to be no longer available in the version (1.9-1678) I installed. Thank you so much, Chen
Hi Chen, yes: phenix.b_factor_statistics model.pdb or phenix.pdbtools model.pdb model_stat=true It will take case of TLS etc appropriately. Pavel On 10/4/14 1:03 PM, Chen Zhao wrote:
Dear all,
I am just wondering whether there is a command line tool in phenix that calculates the average B-factor of a PDB file? Can it deal with the ANISOU records (from TLS refinement or not) properly? I looked into previous posts but the --show-adp-statistics option in phenix.pdbtools seems to be no longer available in the version (1.9-1678) I installed.
Thank you so much, Chen
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Thanks a lot, Pavel!
Best,
Chen
On Sat, Oct 4, 2014 at 4:56 PM, Pavel Afonine
Hi Chen,
yes:
phenix.b_factor_statistics model.pdb or phenix.pdbtools model.pdb model_stat=true
It will take case of TLS etc appropriately.
Pavel
On 10/4/14 1:03 PM, Chen Zhao wrote:
Dear all,
I am just wondering whether there is a command line tool in phenix that calculates the average B-factor of a PDB file? Can it deal with the ANISOU records (from TLS refinement or not) properly? I looked into previous posts but the --show-adp-statistics option in phenix.pdbtools seems to be no longer available in the version (1.9-1678) I installed.
Thank you so much, Chen
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Pavel Afonine