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-- B. Lachele Foley, PhD '92,'02 Assistant Research Scientist Complex Carbohydrate Research Center, UGA 706-542-0263 lfoley.ccrc.uga.edu ----- Original Message ----- From: Mark Williamson [mailto:mjw.sdsc.edu] To: AMBER Developers Mailing List [mailto:amber-developers.ambermd.org] Sent: Mon, 21 Sep 2009 16:51:01 -0400 Subject: [AMBER-Developers] C form of AMBER's FORTRAN subroutine nxtsec > Dear All, > > Is there a robust C form of the FORTRAN subroutine nxtsec, (found in > SANDER and PMEMD) anywhere in the AMBER code base? I'm looking for a > generic C function(s) that will be able to parse prmtop %FLAG sections > with an arbitrary %FORMAT specifier: > > %FLAG FOO_BAR > %COMMENT Some random comment > %FORMAT(3e24.16) > -0.5466849549786422E+01 0.6013534504765064E+01 0.6013534504765064E+01 > > I had a *very* quick look at ptraj's code and it seems to me (I could be > wrong) that it makes certain assumptions about a flag's format specifier > a priori (i.e. loadAndReturn12I6() ), and as a result may not be able to > handle a "new" flag. > > Failing this, I was wondering if there was a C-based library with an > open source license for reading any arbitrary FORTRAN format string. > Ideally, it would do something along the lines of the python module > FortranFormat: > > http://dirac.cnrs-orleans.fr/ScientificPython/ScientificPythonManual/Scientific.IO.FortranFormat-module.html > > regards, > > Mark > > _______________________________________________ > AMBER-Developers mailing list > AMBER-Developers.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber-developers > _______________________________________________ AMBER-Developers mailing list AMBER-Developers.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber-developersReceived on Mon Sep 21 2009 - 15:00:01 PDT