Ah, that is what I needed. For some reason that file is not in the download
I unzipped. Much more sensible!
Bob
On Mon, Aug 8, 2016 at 3:18 PM, Thomas Holder <thomas.hol...@schrodinger.com
> wrote:
> On 08 Aug 2016, at 16:01, Robert Hanson <hans...@stolaf.edu> wrote:
>
> > I see this in 1.8.2.1:
> >
> > #define _PyMOL_VERSION "1.8.2.1"
> >
> > and in AtomInfo.h:
> >
> > #if _PyMOL_VERSION_int < 1770
> > #define AtomInfoVERSION 176
> > #define BondInfoVERSION 176
> > #elif _PyMOL_VERSION_int < 1810
> > #define AtomInfoVERSION 177
> > #define BondInfoVERSION 177
> > #else
> > #define AtomInfoVERSION 181
> > #define BondInfoVERSION 181
> > #endif
> >
> > So that must be where that 181 version indicator is coming from in a PSE
> file saved by 1.8.2.3, right?
>
> Correct.
>
> > But when you look at AtomInfoType in that same file, we see:
> >
> > typedef struct AtomInfoType {
> > union {
> > float * anisou; // only allocate with get_anisou
> > int64_t dummyanisou;
> > };
> >
> > lexidx_t segi;
> > lexidx_t chain;
> > lexidx_t resn;
> > lexidx_t name;
> > lexidx_t textType;
> > lexidx_t custom;
> > lexidx_t label;
> > ...
> >
> > What am I missing?
>
> You're looking at the wrong struct. When doing the binary dump, structs
> from layer2/AtomInfoHistory.h are used. See https://sourceforge.net/p/
> pymol/code/HEAD/tree/trunk/pymol/layer2/AtomInfoHistory.h#l187
>
> Cheers,
> Thomas
>
> --
> Thomas Holder
> PyMOL Principal Developer
> Schrödinger, Inc.
>
>
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic
patterns at an interface-level. Reveals which users, apps, and protocols are
consuming the most bandwidth. Provides multi-vendor support for NetFlow,
J-Flow, sFlow and other flows. Make informed decisions using capacity
planning reports. http://sdm.link/zohodev2dev
_______________________________________________
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
