Protein MD Analysis tutorial using BioExcel Building Blocks (biobb)
This workflow computes a set of Quality Control (QC) analyses on top of an uploaded MD trajectory. QC analyses include positional divergence (RMSd), change of shape (Radius of Gyration), identification of flexible regions (atomic/residue fluctuations), and identification of different molecular conformations (trajectory clustering).
Copyright & Licensing
This software has been developed in the MMB group at the BSC & IRB for the European BioExcel, funded by the European Commission (EU H2020 823830, EU H2020 675728).
- (c) 2015-2023 Barcelona Supercomputing Center
- (c) 2015-2023 Institute for Research in Biomedicine
Licensed under the Apache License 2.0, see the file LICENSE for details.
Version History
Version 3 (latest) Created 14th Apr 2023 at 09:58 by Genís Bayarri
Update to BioBB 4.0.*
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Version 2 Created 23rd Nov 2022 at 08:37 by Genís Bayarri
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Version 1 (earliest) Created 17th Mar 2022 at 13:13 by Genís Bayarri
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Created: 17th Mar 2022 at 13:13
Last updated: 14th Apr 2023 at 09:58
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