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MoleCoolQt a molecule viewer for charge density related science

Basic features
This is the structure of thymidine shown in MoleCoolQt. (click in the picture to enlarge) MoleCoolQt can be used to visualize ADP's and local coordiate systems for XD files. Dummy atoms residual peaks / holes and critical points can be visualized as small cubes. Labels can be resized to arbitrary size and any installed Font can be used as well. On the sidebar on the left (new function) you can see distances and angles after clicking on atoms (or dummys) of the structure. Of course the side bar can be hidden or moved to the right if desired.
...some more
Of course the structure can be packed. The hydrogen bonds found will apear in a table in the sidebar. When you click on peaks or critical points peak height or electron density is listed on the side bar.
XD - Setup - Dialog Doing things by hand is a good thing but sometimes some helping tool could be more fun. The 'XD - Setup' mode assists you in setting up the local coordinate systems and local symmetry code lines (those lines with the ones and zeros) for the XD refinement. If desired bisecting or crossproduct dummys can be easily created. All changes made here are stored. So there is a undo function. The XD executables can be started inside of MoleCoolQt.
configuration.
In MoleCoolQt atom color, bond radius and ADP visualization can be configured for each atom of the periodic system. The Background can be filled by a color gradient of a background picture, or can be left single colored.

Unternavigation