|
|
getResInfo
|
getResInfo ( res )
return a list of the fixed atoms of the residue, a list of
the fixed atoms that non-fixed atoms attach to, and whether
this residue is the start and/or end of a chain
|
|
|
swap
|
swap (
res,
newRes,
preserve=0,
bfactor=None,
)
change res into type newRes
|
Exceptions
|
|
|
ValueError, "No connectivity template for residue '%s'" % newRes
AssertionError, "Atom %s of residue %s has no" " neighbors after pruning?!?" %(bud, res.oslIdent() )
ValueError, "'preserve' keyword not yet implemented"
AssertionError, "Can't determine atom type" " information for atom %s of residue %s" %(bud, res.oslIdent() )
AssertionError, "Too many atoms bonded to %s of" " residue %s" %(bud, res.oslIdent() )
AssertionError, "Too many positions returned" " for atom %s of residue %s" %(bud, res.oslIdent() )
ValueError, "New residue type (%s) " "not compatible with starting residue type (%s)" %( newRes, res.type )
AssertionError, "Can't disambiguate " "tetrahedral position by " "forming in-residue dihedral " "for %s of residue %s" %(bud, res.oslIdent() )
|
|
|
|
formDihedral
|
formDihedral (
resBud,
real1,
tmplRes,
a,
b,
)
|
Exceptions
|
|
|
AssertionError, "Can't form in-residue dihedral for" " %s of residue %s" %(bud, res.oslIdent() )
|
|
|