Mamta Mohan

[Mamta Mohan]

Hi,

I would like to use Bio3D to do Normal Mode analysis of spin label (MTSL) attached to a protein.

Is it possible?

I looked into couple of NM packages and spin label is skipped while they read PDB file and do processing.

I am using VMD and NAMD to generate files.

I would appreciate your response.

Mamta

[Lars Skjærven]

Hi Mamta, The nma() function employs a c-alpha based model. Please see manual help(nma) for more info. If you want all-atom ENM you can check out function aanma() in the feature_aanma branch (note that this is a development version). See the wiki pages on how to use git to fetch this branch. Hope it helps. L

[Mamta Mohan]

Thank You.