fwd: phenix.autobuild- multiple models.
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From: Michael Karl Uhl
Date: March 3, 2009 11:55:16 PM PST To: [email protected] Subject: phenix.autobuild- multiple models Reply-To: [email protected] Hello,
I have not registered for this list until now, but have a very urgent question concerning phenix.autobuild and multiple models as input. Is there a possibility to merge models generated by different phenix.autobuild runs. I have several overall_best-structure and want to merge them into one single overall_best structure. I have found the keyword "merge_models= True" but it does not really work (Sorry, unknown file or keyword: merge_models=True). How should I make the input in this case?
Thanks a lot,
Michael Uhl.
------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]
Hi Michael, In fact phenix.autobuild already is merging the models at some level, as it uses models from prior cycles as part of the input to each cycle. However if you want to do a simple merge of a bunch of model you can use consider_main_chain_list: consider_main_chain_list= None This keyword lets you name any number of PDB files to consider as templates for model-building. Every time models are built, the contents of these files will be merged with them and the best parts will be kept. NOTE: this only uses the main-chain atoms of your PDB files. All the best, Tom T
(The server bounced this message for some reason.)
From: Michael Karl Uhl
Date: March 3, 2009 11:55:16 PM PST To: [email protected] Subject: phenix.autobuild- multiple models Reply-To: [email protected] Hello,
I have not registered for this list until now, but have a very urgent question concerning phenix.autobuild and multiple models as input. Is there a possibility to merge models generated by different phenix.autobuild runs. I have several overall_best-structure and want to merge them into one single overall_best structure. I have found the keyword "merge_models= True" but it does not really work (Sorry, unknown file or keyword: merge_models=True). How should I make the input in this case?
Thanks a lot,
Michael Uhl.
------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected] _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
participants (2)
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Nathaniel Echols
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Thomas C. Terwilliger