File formats/Compressed

Jmol can read and write (export) a number of compressed file (collection) formats. Two of these are particularly useful.

JMOL

JMOL files, typically with the .jmol extension, are a compressed Zip format containing the structure data file, script file containing the state together with any other necessary files.

The JMOL format can be be exported from J(S)mol using the script command:

write ZIPALL "fileName"

or

write JMOL "fileName"

or from the J(S)mol pop-up menu:

File > Save > Save all as JMOL file (zip)

PNGJ

PNGJ files, typically with the .png extension, are a ZIP extension of the PNG image format containing, in addition to a snapshot image, the structure data file, script file containing the state together with any other necessary files. Similar to JMOL format but also including a snapshot image.

The PNGJ format is particularly convenient in that most operating system and web application file systems will display the png snapshot e.g as a thumbnail image for an email or forum posting attachment. JSmol itself can use the PNGJ format to display a cover image prior to loading the interactive structure.

The PNGJ format can be exported from J(S)mol using the script command:

write IMAGE width height PNGJ n "fileName"

width and height are optional and default to the current frame size

or from the J(S)mol pop-up menu:

File > Export > Export PNG+JMOL image

Contributors

Rowland.geoff