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Molekel - Message forums

Saving molekel files

Submitted by T.Pedersen; posted on Thursday, July 19, 2007

Hi, I was wondering what format to save Molekel files in? 5.1.1 doesn't seem to have a default format - like 4.3 has. Since it can take some time to display electron density surfaces it would be nice to be able to save one's work. Any ideas would be appreciated. Cheers.

Re: Saving molekel files

Submitted by Molekel Admin; posted on Thursday, July 19, 2007

Hi, actually we started looking into that a while ago, one of the problem is that saving all the information (settings + mesh data) to one single file may result in huge file sizes, it's a problem to deal with versions and it's not easy to extend; so we are thinking of saving the entire workspace to a user specified directory with: - one file per molecule containing molecule structure information - one file per surface containing surface geometry and rendering properties - one file per molecule containing per-molecule settings (animation mode, rendering properties etc.) - one workspace.molekel file containing a list of all the surfaces/molecules/settings files Molecules will be saved in one of the standard molecular file formats (probably just a copy of the original file). Meshes will be saved in a standard format like OBJ or other standard. Since however this change is going to take some time we decided to postpone it until after the release of Molekel 5.2.

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