/ . / chimera / molEdit.py
Functions
|
|
|
addAtom
|
addAtom (
name,
element,
residue,
loc,
serialNumber=None,
bondedTo=None,
)
Add an atom at the Point loc
The atom is added to the given residue (and its molecule).
loc can be a sequence of Points if there are multiple
coordinate sets.
bondedTo is None or an Atom. If an Atom, then the new atom
inherits various attributes from that atom and a bond to that
Atom is created.
Returns the new atom.
|
|
findPt
|
findPt (
n1,
n2,
n3,
dist,
angle,
dihed,
)
|
|
addDihedralAtom
|
addDihedralAtom (
name,
element,
n1,
n2,
n3,
dist,
angle,
dihed,
molecule=None,
residue=None,
bonded=False,
)
Add an atom given 3 Atoms/Points and angle/distance constraints
The atom is added to the given molecule. If no molecule or
residue is specified, then n1/n2/n3 must be Atoms and the new atom
is added to n1's molecule and residue. If just residue is
specified, the new atom is added to that residue and its molecule.
n1 marks the position from which dist is measure, and in
combination with n2 forms angle , and then with n3 forms
dihed .
if bonded is True then n1 must be an Atom and the new atom will
be bonded to it.
Returns the new atom.
|
|
addBond
|
addBond (
a1,
a2,
drawMode=None,
halfbond=None,
color=None,
)
|
|
genAtomName
|
genAtomName ( element, residue )
|
|
|