Total results: 26
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 ...
Parameter, Meaning, Default. atomSetColor0atomSetColor1...atomSetColor63, Atom set color as a hexadecimal value. N/A. bondSetColor1.
further parameters that effect other pharmacophore related utilities (GenerateMD, ScreenMD). ... AtomSet ID="Aromatic" Symbol="r">arom</AtomSet> <AtomSet ...
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 ...
A general mechanism is needed to enable both graphical Java applications and command line tools to set calculation parameters, perform the required calculation ...
evaluator functions : functions containing an inner expression string as parameter ... atom set being both query carbon atoms attached to the oxygen: match ...
Note that in the current version the above expression cannot be evaluated if there are less than two basic pKa values in the molecule. ... atom set being all ...
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 ...