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MoleCoolQt a molecule viewer for charge density related science

Why another molecule viewer?
Well, why not. Of course there are numerous molecule viewers out there, but this one is programmed by a charge density scientist. Thus, MoleCoolQt provides features the author thinks are usefull in chare density work. Currently MoleCoolQt is still under development. Recent versions are released here. MolecoolQt uses the Qt-Library and is therefore avaiable for Linux, Windows and Mac platforms.


Features:
  • Acceped Input Files: XD.RES|INP|MAS, SHELX.RES|INS, GAUSSIAN.COM, GAUSSIAN.FChk, PDB, CIF
  • For XD: Built-in xd.mas editor with syntax highlighting
  • For XD: Visualisation of critical points and residual peaks and holes
  • For XD: Semiautomatic local coordinate system assigning and symmetry code generator
  • For XD: Graphical representation of local coordinate systems.
  • Invariom help tool
  • Completely menu controlled
  • Atom labels are freely scalable and also moveable
  • High resolution screen shots
  • Print function
  • MolIso functions



Background
MoleCoolQt is developed using the Qt Library in C++. Many features and functions were inherited from molecool which was a small tool which was never really published. molecool can be seen as the little brother of MolIso. It has the same look and feel as MolIso excluding the iso-surface feature but with a graphical representation of the local coordinate systems used in XD.


Interested?
If you are interested in the program MoleCoolQt please keep reloading this site, because new versions with fewer bugs and more feartures are here for free download. If you want to contact the author then write an email to . RSS 2.0

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