rdkit.Chem.Features.ShowFeats

Package rdkit :: Package Chem :: Package Features :: Module ShowFeats |
[hide private]
[frames] | no frames]

# 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 = `logging.logger()`
| _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 = `OptionParser(_usage, version= '%prog '+ _version)`
| __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)}