New controls

There is a new feature in MarvinSpace called controls. You can change the location and/or orientation of a molecule independently from others. To use this select a molecule by clicking on a selected atom. (Monitors have to be turned off.) A yellow arrow will appear, and you can change the location of the molecule with mouse dragging and holding CTRL down. If you click on the arrow, it changes to another control. There are 2 types of location controls (translate), and 2 types of orientation controls (rotate). One type is to control in global coordinate system (x axis is what you see horizontal, etc.), and the other type is for controlling in local coordinate system.





http://www.chemaxon.hu/shared/MarvinSpace/





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Hello, just found some time to test. My comments:





- "centering" or how it is called is very useful


- selection and controls are great


- I would not put borders around the values of monitors


- it will be slow for proteins. It was faster before :)


- new cells are great, is there a way to "lock" them? For example loading four molecules into a 2x2 table and rotating/zooming them in synchron


- it is not possible to cancel selection in angle/dihedral monitoring mode


- sometimes dihedral/angle monitors are pointing to funny places: try to select the same atom more then once





Cheers

Thanks for the nice words!





- border around monitor: we do like it actually! ;-) We will introduce various parameters to control the behaviour of monitors (border, color, placement etc.)


- yes, we are aware of sluggish performance and right now we are working on improving speed; autoscaling rendering quality with respect to actual frame rate will be the ultimate answer


- cell lock: would it be useful or just nice?





- bugs: thanks!





Cheers,





M.

If you can have cell lock, you can rotate the same protein having different ligands in the binding site: one have to do it may times during lead optimisation. It is not something you can not live without.

Sounds reasonable. O.k. we'll try to support it, I put it on the wishlist.


Cheers,


Miklos