how to make all structures of same size?

User 247c00dc1d

30-07-2012 09:59:54



Hello!


how to make all structures in IJC of same size?


at the moment  the size of structure depend of free space in the cell - if molecule is small it increased, and conversely.


how can I make all structures (bond length) with fixed size?


thanks!


Igor 


P.S. https://www.chemaxon.com/forum/ftopic9369.html



ChemAxon 5433b8e56b

01-08-2012 09:36:18

Hi, can you specify the expected behaviour you want to achieve?


Currently there is a maxScale property that can be set in the API of Marvin, and the imageExport use it as a constraint, but it does not can do anything with bigger structures. So if the maxScale is set, the structures that have not enough space, will be downscaled, but the upscaling of smaller structures can be avoided with this limit. The default 100% zoom in MarvinSketch means 28 as scale value.


Could this maxScale property and mainly its behaviour acceptable by you? If yes, we can consult with the IJC guys on how we can implement this.


Besides this, there are a few other options that may can help, but it depends on the expected behaviour if they can be suitable. For example there is a way to calculate a uniform scale that is good for all cells, but if there are some big structures they will cause to downscale the smaller molecules too much.


Regards,
Istvan