read.cif() has 'entid' instead of 'segid'
Issue #516
resolved
I found read.cif()
gives an 'entid' column instead of 'segid' as generated by read.pdb()
. Although we seldom use this column, it will cause an error when call write.pdb()
.
pdb <- read.cif('4v4e.cif')
pdb <- trim(pdb, chain=c('I', 'X'))
write.pdb(pdb, file='4v4e.pdb')
Error in `[.data.frame`(pdb$atom, , "segid") : undefined columns selected
Maybe we should make them consistent, or is there particular reasons to call it 'entid'?
Comments (3)
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reporter Done in this commit
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reporter - changed status to resolved
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I agree. it's probably better to rename it segid since we assign this as a pdb object anyway. it's called entid since the mmcif name for this field i entity_id.