VMD-L Mailing List

From: Andrew Dalke (dalke_at_dalkescientific.com)
Date: Thu Jul 23 2009 - 13:11:46 CDT

Hi all,

This gave me a flashback that I wanted to share

On Jul 22, 2009, at 7:52 AM, Leonardo Trabuco wrote:
> Yes. When you load a saved state, VMD will load the coordinates from
> the files specified in the saved state. If you manipulate coordinates,
> you want to save new coordinate files with the new coordinates.

I worked with Ivo Hofacker to implement save state. He developed the
Tcl interface and I added the hooks to the VMD internals so that a
user-land script could get and set all the information it needed.

Only later did I add support for users to modify coordinates, and I
think I decided that rather than save all the coordinates for every
save state, the user (for those few that modified coordinates) would
have to save the coordinates themselves.

That was, what, 13 or so years ago? Flashbacks are like that.

                                Andrew
                                dalke_at_dalkescientific.com