summary.pdb() bug with het2atom=TRUE for some PDBs
Issue #48
resolved
Works fine with most files tested, e.g.
summary(read.pdb("1sx4",))
## Note: Accessing online PDB file
## HEADER CHAPERONE 30-MAR-04 1SX4
##
## Call: read.pdb(file = "1sx4")
##
## Atom Count: 59457
##
## Total ATOMs#: 59080
## Protein ATOMs#: 59080 ( Calpha ATOMs#: 8015 )
## Non-protein ATOMs#: 0 ( residues: none )
##
## Total HETATOMs: 377
## Residues HETATOMs#: 36 ( residues: MG ADP HOH )
##
##+ attr: atom, het, helix, sheet, seqres,
## xyz, xyz.models, calpha, call
But not on this guy with het2atom=T
summary(read.pdb("1sx4", het2atom=T))
Comments (2)
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reporter - changed status to resolved
Fixed
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Consider swapping summary.pdb() with print.pdb()