command line rendering

Hello,





is there a way to render a protein pdb file to a png/jpg image like this in command line: http://www.chemaxon.com/marvinspace/gallery/1_3_3/secondary/4dfr.png ?





thanks,


Zsolt

Hello Zsolt,





not in the command line, I'm afraid, only in the GUI. Though it doe snot seem to be rocket science so we will consider implementing it in very short term. We'll discuss it internally and let you know soon.





Thanks


Miklos

thanks, it would be an extremely important feature for us.





Zsolt

mvargyas wrote:

Hello Zsolt, not in the command line, I'm afraid, only in the GUI. Though it doe snot seem to be rocket science so we will consider implementing it in very short term. We'll discuss it internally and let you know soon. Thanks Miklos

Hi Zsolt,





we briefly discussed possible implementation but it's not straightforward. Actually, pretty hardcore.


When you say command line, do you mean that absolutely no GUI application is allowed to be started? Just like one uses molconverter to produce image file form structure files? If so, then that's something we cannot do at the moment (since MarvinSpace renders scenes by OpenGL that when initialised opens a visible draw canvas...).





May we ask back to better understand your usage scenario? Namely that why an image and what quality/resolution is needed? An applet solution wouldn't be suitable?





It is also difficult to see how some parameters (like view aspect, zoom ratio etc) could be properly set in the command line, but the interactive approach (ie. applet) would ease this issue.





Regards,


Miklos

Hi Miklos,





yes, I mean producing high-quality images without GUI. We would like to automatically generate publication quality figures of ligand-protein complexes in a web application (developing site: http://autodock.organic.hu). It is similar that Raster3D can do, but we are not pleased with its quality, moreover, an integrated Chemaxon solution would be much more straightforward for us.





Zsolt

mvargyas wrote:

Hi Zsolt, we briefly discussed possible implementation but it's not straightforward. Actually, pretty hardcore. When you say command line, do you mean that absolutely no GUI application is allowed to be started? Just like one uses molconverter to produce image file form structure files? If so, then that's something we cannot do at the moment (since MarvinSpace renders scenes by OpenGL that when initialised opens a visible draw canvas...). May we ask back to better understand your usage scenario? Namely that why an image and what quality/resolution is needed? An applet solution wouldn't be suitable? It is also difficult to see how some parameters (like view aspect, zoom ratio etc) could be properly set in the command line, but the interactive approach (ie. applet) would ease this issue. Regards, Miklos

Hi Zsolt,





o.k. clear, thanks. I register this task in our request tracking system, but at present I cannot do anything more.





Miklos