domain analysis
Issue #26
resolved
from md, pca, or nma
cij <- dccm(xyz)
net <- igraph.comms(cij)
ch <- vec2resno(vec=net$membership, resno=pdb$atom[,"resno"])
write.pdb(pdb, chain=LETTERS[ch], file="tmp.pdb")
Also check out Hinsen's "domain finder" and "deformational energy"
Comments (2)
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reporter - changed status to resolved
should be OK with the new geostas and cna functions.
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igraph.comms() is now called cna() and is available on the feature-cna branch of this repo. Initial applications look promising but more extensive testing is required - including comparing to other methods...