Mol

merge¶

; merge mol2 into this (mol2)

void merge (string)

merge¶

; merge mol2 into mol1 (mol1, mol2)

static void merge (string,string)

erase¶

; erase selected atoms

void erase()

shift¶

; translate selection (dv)

void shift(vector)

shift¶

; move selection of mol1 (mol1, dv)

static void shift(string,vector)

rotate¶

; rotate selection (quat, vcen)

void rotate(vector,vector)

rotate¶

; rotate selection of mol1 (mol1, quat, vcen)

static void rotate(string,vector,vector)

bond¶

; make covalent bond between two atoms (in this mol)

void bond(any, any)

lsqfit¶

; lsq fitting

real lsqfit(object)

calcRMSD¶

real calcRMSD(object)

popSel¶

void popSel ()

popSel¶

static void popSel (string)

pushSel¶

void pushSel ()

pushSel¶

static void pushSel (string)

select¶

static void select (string)

select¶

void select ()

deselect¶

static void deselect (string)

deselect¶

void deselect ()

selectChain¶

static void selectChain (string,string)

selectChain¶

void selectChain (string)

selectResid¶

static void selectResid (string,string,integer,integer)

selectResid¶

void selectResid (string,integer,integer)

selectResidAppend¶

static void selectResidAppend (string,string,integer,integer)

selectResidAppend¶

void selectResidAppend (string,integer,integer)

selectResidRemove¶

static void selectResidRemove (string,string,integer,integer)

selectResidRemove¶

void selectResidRemove (string,integer,integer)

select¶

static void select (string,select)

select¶

void select (select)

getChainNames¶

array getChainNames ()

getStartResid¶

integer getStartResid (string)

getStartResid¶

static integer getStartResid (string,string)

getEndResid¶

integer getEndResid (string)

getEndResid¶

static integer getEndResid (string,string)

getCenter¶

vector getCenter ()

getCenter¶

static vector getCenter (string)

setProp¶

; set property to the selected residues (molname, propname, propvalue)

void setProp (string, string)

setProp¶

static void setProp (string, string, string)

forEachResid¶

; residue iteration (affected by current selection)

void forEachResid (any)

forEachAtom¶

; atom iteration (affected by current selection)

void forEachAtom (any)

getResids¶

; get a list of selected residues

any getResids()

getAtoms¶

; get a list of selected atoms

any getAtoms ()

distMin¶

; get the minimum distance

real distMin(vector)

showAtomLabel¶

; show simple atom labels for selected atoms ``` void showAtomLabel(select, string)