Module ShowFeats

source code

Functions

[hide private]

_getVectNormal(v, tol=0.0001)

source code

_buildCanonArrowhead(headFrac, nSteps, aspect)

source code

_cgoArrowhead(viewer, tail, head, radius, color, label, headFrac=0.3, nSteps=10, aspect=0.5)

source code

ShowArrow(viewer, tail, head, radius, color, label, transparency=0, includeArrowhead=True)

source code

ShowMolFeats(mol, factory, viewer, radius=0.5, confId=-1, showOnly=True, name='', transparency=0.0, colors=None, excludeTypes=[], useFeatDirs=True, featLabel=None, dirLabel=None, includeArrowheads=True, writeFeats=False, showMol=True, featMapFile=False) source code

Variables

[hide private]

_version = '0.3.2'

_usage = '\n ShowFeats [optional args] <filenames>\n\n if "...

_welcomeMessage = 'This is ShowFeats version 0.3.2'

logger = <rdkit.RDLogger.logger object>

_featColors = {'Acceptor': (1, 0, 1), 'Aromatic': (1, 0.8, 0.2...

_canonArrowhead = None
hash(x)

_globalArrowCGO = []

_globalSphereCGO = []

BEGIN = 2

END = 3

TRIANGLE_FAN = 6

COLOR = 6

VERTEX = 4

NORMAL = 5

SPHERE = 7

CYLINDER = 9

ALPHA = 25

parser = <optparse.OptionParser object>

__package__ = 'rdkit.Chem.Features'

Imports: math, logging, Geometry, FeatDirUtils, sys, os, getopt, RDConfig, OptionParser

Variables Details

[hide private]

_usage

Value:

'''
   ShowFeats [optional args] <filenames>

  if "-" is provided as a filename, data will be read from stdin (the 
console)
'''

_featColors

Value:

{'Acceptor': (1, 0, 1),
 'Aromatic': (1, 0.8, 0.2),
 'Donor': (0, 1, 1),
 'Hydrophobe': (0.5, 0.25, 0),
 'LumpedHydrophobe': (0.5, 0.25, 0),
 'NegIonizable': (1, 0, 0),
 'PosIonizable': (0, 0, 1),
 'ZnBinder': (1, 0.5, 0.5)}