Monsa model averaging procedure legitimate?

Ab initio modelling: DAMMIF, DAMMIN, GASBOR, MONSA
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geoX
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Joined: 2015.12.09 17:49

Monsa model averaging procedure legitimate?

#1 Post by geoX » 2015.12.17 19:50

Hello,

do you think the following procedure to obtain an averaged Monsa model would be legitimate?

- Combine phases of each run in respective PDB files and assign individual chain IDs to each phase -> Result: one .pdb file for each monsa run
- Run damsel and damsup to align phases combined in one file
- Split chains (phases) into separate PDB files again
- Move split PDB files into corresponding folders (e.g. phaseA, phaseB, ...)
- Run damaver in each folder to separately average the phases
- Combine damaver output files (for each phase) again in one file



Thanks,
Georg

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