PNG image generation

Hi,


Generating a png image at high resolution (2000*1500 pixels) for a simple molecule in MarvinSketch takes more than 30 minutes on my computer. Details are:


MarvinBeans v4.0.1


JRE 1.5


Linux Fedora core 4 (kernel 2.6.11-1.1369_FC4)


Nvidia Graphics card (using the last Nvidia driver for linux, 1.0-7676)


Thanks in advance,


Hugo

Can you show me a molecule where the image export requires 30 minutes?


Generating a large image (2000x1500 pixels) from a simple molecule is less than 30 seconds for me.





Probably, you generate an image from a SMILES. If the molecule has not got real coordinates (like SMILES), molecule clean is called automatically during image generation process. Naturally, the cleaning process (coordinates generation) requires extra time but I can hardly imagine that it is 30 minutes.

This simple molecule takes 2 minutes to generate a 1360*846 png image, from a half resolution display (multiply by a factor of 2 on png generation). So it is not an error when multiplying the resolution on png generation. But increasing the resolution to double size again (1500 lines) takes more than 30 minutes.


I also checked than 1360*846 jpeg generation takes a few seconds, but increasing to double size crashes. Error:


Exception in thread "Thread-11" java.lang.OutOfMemoryError: Java heap space


Ther molecule was directly built on marvin.

I fixed the bug, image generation in msketch became as fast as it is in the command line using molconvert. The bugfix will appear in the next marvin release.


To avoid OutOfMemoryError, you should increase the heap size. Try -Xmx128m.