File Menu

The main function provided in the File submenu is loading molecular structure files. These can either be small molecules or a macromolecules (that is, proteins, protein-ligand complexes, RNA, DNA etc).

The structure opened is displayed in the current cell (marked by a thin red frame) and is registered in the selection panel on the right hand side of the MarvinSpace window.

There are two alternative ways to load new structures in MarvinSpace. Open removes all existing objects (after confirmation) and loads new structures in either one or more cells depending on user selection.

In contrast to this, Add keeps all previously loaded structures and adds new ones to the current cell.

Open from RCSB PDB connects http://www.rcsb.org to load a pdb file given by its identifier.

Open from RCSB PDB Dialog

Open property file is to map volumetric data on molecular surfaces. Currently supported property file formats are Gaussian Cube (.cube) and Charmm (.phi80).

Save screen saves the canvas as a PNG, BMP or JPG file. It does full screen anti-aliasing before image saving. The size of the image will be the same as the size of the canvas.

Export image saves the canvas in arbitrary size in the above formats. There is a limitation: export image does not work properly if:

• smooth background is enabled

• there are multiple cells

• there are any labels drawn in 2d

  Exit leaves the program.