Restoring the old ignore_case behaviour seems pragmatic.
Can you explain the difference with the new ignore_case_chain setting? Is
the idea that we would want case-insensitive element symbols
(ignore_case=off) but case-sensitive chains (ignore_case_chain=on)? Are
there other places where case is important in the selections or structures
(e.g. insertion codes)?
-Spencer
On Tue, Feb 9, 2016 at 4:18 PM, Thomas Holder <thomas.hol...@schrodinger.com
> wrote:
> Hi all,
>
> Quick update on the "ignore_case" issue:
>
> - ignore_case=on default restored in PyMOL 1.8.0.5 and latest SVN
> - latest SVN introduces new "ignore_case_chain" setting
>
> Cheers,
> Thomas
>
> On 02 Feb 2016, at 14:38, Thomas Holder <thomas.hol...@schrodinger.com>
> wrote:
>
> > Greetings,
> >
> > I like to let you know that we plan another change for the "ignore_case"
> setting behavior. We want to restore the old default (ignore_case=on) and
> introduce a new setting "ignore_case_chain=off", which will affect the
> "chain" and "segi" identifiers.
> >
> > As you may (or should) know, we changed the default of the "ignore_case"
> setting in PyMOL 1.8 from "on" to "off". The rationale was to have default
> settings which properly support PDB files which mix upper and lower case
> chain identifiers (e.g. 3a0b). Users who still prefer a case insensitive
> selection language can put a "set ignore_case" line in their pymolrc file.
> >
> > However, we now realized that this is not very practical. One reason is
> that too many scripts and code samples use lower case resn and name
> selections, fixing those historic resources is often not feasible or
> desirable. Another reason is that PyMOL inconsistently stores element
> symbols, for example chlorine is "CL" when loaded from a PDB file, but "Cl"
> when loaded from SDF. The logical conclusion is that PyMOL should handle
> chain and segi different from resn, name and elem.
> >
> > See also: http://pymolwiki.org/index.php/ignore_case
> >
> > Any kind of feedback regarding the planned change will be appreciated.
> >
> > Cheers,
> > Thomas
>
> --
> Thomas Holder
> PyMOL Principal Developer
> Schrödinger, Inc.
>
>
>
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