VMD-L Mailing List

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Tue Sep 19 2017 - 09:47:35 CDT

Hello Sheena, no, you have been given enough information about the format.
Explaining every keyword to you would take too long and still be
incomplete: for a complete reference, see the link sent by Axel.

If you need to write your own parser for a file generated by volmap, you
need to explain why.

Instead, I strongly recommend that you load the file using the tool that I
showed you or a similar one. If you prefer not implement what you plan in
Python, just write a converter for it into a file format that is suitable
for you.

Another option is loading the file back in VMD and using the interpvol
keyword (please look it up in the manual) to read the value of the map at a
position given by you.

Giacomo

On Tue, Sep 19, 2017 at 5:25 AM, Sheena Singh <sheena28.singh_at_gmail.com>
wrote:

> Thank You all.
> I have attached a screenshot that contains the header portion of my dx
> file for occupancy. Can you please interpret it. It would be a great help--94eb2c1471ccfee1ff05598bf272--