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__init__(self)
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|
checkDependencies(self)
virtual method.
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|
onAddCmdToViewer(self)
method called when an instance of this command is added to the
viewer.
|
|
__call__(self,
mol,
forcefield='amber',
debump=1,
hopt=1,
hdebump=1,
watopt=1,
hbond=1,
updateMol=0,
newMol=0,
filename=None,
useThread=1,
**kw)
None setup_Pdb2Pqr(mol, forcefield='amber', debump=1,...
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|
checkForResults(self)
|
|
doit(self,
mol,
**kw)
virtual method.
|
|
process(self,
mol,
pdblist,
forcefield,
debump,
hopt,
hdebump,
watopt,
hbond,
filename,
newMol,
updateMol,
useThread=1)
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|
update_molecule(self,
mol,
weakrefDict,
hitlist,
misslist,
new_pmv_ats)
|
|
build_all_hydrogens(self,
mol,
hlist,
renumber,
weakrefDict)
|
|
build_hydrogen(self,
mol,
h)
|
|
build_missing_atoms(self,
mol,
original_atoms,
updated_atoms,
rout,
weakrefDict)
|
|
build_atom(self,
mol,
atom,
rout)
|
|
buildFormDescr(self,
formName)
descr <- buildFormDescr(self, formName): this virtual method is
implemented in the classes derived from Command.
|
|
guiCallback(self)
Default callback function called by the gui
|
Inherited from mvCommand.MVCommand :
strArg
Inherited from ViewerFramework.VFCommand.Command :
__repr__ ,
addCallbackAfter ,
addCallbackBefore ,
addUndoCall ,
afterDoit ,
beforeDoit ,
buildLogArgList ,
cleanup ,
customizeGUI ,
doitWrapper ,
getArguments ,
getHelp ,
getLastUsedValues ,
getLogArgs ,
getValNamedArgs ,
log ,
logString ,
onAddNewCmd ,
onCmdRun ,
setLastUsedValues ,
setupUndoAfter ,
setupUndoBefore ,
showForm ,
tkCb ,
updateGeom ,
warningMsg
|