Daylight v4.9
Release Date: 1 February 2008
Object Synopsis
atom -- object representing an atom in a molecule
Description
An atom object represents a single atom in a molecule. Atom objects are
always a constituent part of a molecule object, and never exist in isolation.
Atoms have a number of properties: atomic number, atomic weight, atomic
symbol, charge, chirality, aromaticity, implicit hydrogen count, total
hydrogen count, symmetry order and class, canonical order in the molecule, and
a user-set arbitrary order in the molecule.
Atoms can only be allocated or deallocated when a molecule is in the "modify
on" state (see dt_mod_on(3) and dt_mod_off(3)).
A hydrogen pseudo-atom object is available for use in chirality
specifications; see dt_isohydro(3) for details.
Related Topics
bond(3ob)
molecule(3ob)
cycle(3ob)
depiction(3ob)
conformation(3ob)
dt_aromatic(3)
dt_setinteger(3)
dt_typename(3)
dt_remove(3)
dt_symclass(3)
dt_sethandle(3)
dt_isohydro(3)
dt_cansmiles(3)
dt_integer(3)
dt_add(3)
dt_setarborder(3)
dt_getmap(3)
dt_weight(3)
dt_xatom(3)
dt_label2(3)
dt_fp_partfp(3)
dt_setga(3)
dt_real(3)
dt_setcoord(3)
dt_handle(3)
dt_label2ga(3)
dt_count(3)
dt_symbol(3)
dt_setlabel2(3)
dt_setweight(3)
dt_ischiral(3)
dt_string(3)
dt_fp_generatefp(3)
dt_setstring(3)
dt_setadjunct(3)
dt_setbondstyle(3)
dt_stream(3)
dt_bond(3)
dt_setmap(3)
dt_getcoord(3)
dt_xsmiles(3)
dt_boolean(3)
dt_mapped(3)
dt_setchival(3)
dt_setlabel1ga(3)
dt_setreal(3)
dt_symorder(3)
dt_proptype(3)
dt_dealloc(3)
dt_setlabel1(3)
dt_label1ga(3)
dt_arborder(3)
dt_chiseq(3)
dt_chival(3)
dt_fp_differencefp(3)
dt_copy(3)
dt_hcount(3)
dt_imp_hcount(3)
dt_setimp_hcount(3)
dt_number(3)
dt_setboolean(3)
dt_suppressh(3)
dt_addbond(3)
dt_label1(3)
dt_parent(3)
dt_adjunct(3)
dt_uid(3)
dt_charge(3)
dt_addatom(3)
dt_bondstyle(3)
dt_member(3)
dt_chiperm(3)
dt_setnumber(3)
dt_ga(3)
dt_origstream(3)
dt_setaromatic(3)
dt_getrole(3)
dt_molgraph(3)
dt_setcharge(3)
dt_type(3)
dt_addh(3)
dt_propnames(3)
dt_appendstring(3)
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