Total results: 26
Atom sets. A comma-separated list of atom indices (0, ..., n -1). An atom in molecule cell number N will be in set M if its number appears in the atomSet N . M ...
color of bonds. Maximum 64 atom sets can be defined in a molecule. Indexing of atom sets starts from zero. The atom set having the zero index is ...
further parameters that effect other pharmacophore related utilities (GenerateMD, ScreenMD). ... AtomSet ID="Aromatic" Symbol="r">arom</AtomSet> <AtomSet ...
Parameter, Meaning, Default. atomSetColor0atomSetColor1...atomSetColor63, Atom set color as a hexadecimal value. N/A. bondSetColor1.
Bond set coloring image export parameter was not effective, and in some cases it was able to modify the atom set coloring. When saving a structure in pdf format ...
Use atom/bond set colors. Colors can be specified as a colon separated list of values. Use ak:#rrggbb for atom set k, bk: ...
These settings can be found in the View menu and in the Preferences dialog. ... Atom Set - based on previously defined atom set coloring (can be set in ...
... parameters as long parameter name -> parameter value pairs. (The long ... Be careful with transformations that change the atom set of the molecule ...
evaluator functions : functions containing an inner expression string as parameter ... atom set being both query carbon atoms attached to the oxygen: match ...
Atom set colors: Comma separated list of entries in " k:color " format ... Possible values are the eight points of the compass or center. toption, It ...