-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1
Hi Tom-- > > The python interface is new to me, so I'm unclear as to how it is used. > Is this a GUI for generation of scripts (much like the html pages for > CNS) or is this referring to xplor using the python language to perform > operations that are outside of the domain of the xplor scripting > language? it is the latter- a different (and much more powerful) scripting interface. > I assume people still invoke xplor at the unix command line, > i.e. "xplor < anneal.inp > anneal.out" and modify their input files as > text documents so I'm unclear as to what the python interface does. when using a pure python script it is invoked using xplor -py SCRIPT.py >SCRIPT.out xplor -help will give a little info on what else is possible. > The > online xplor manual makes no mention of the python interface so I assume > it's a recent addition. correct. It is more recent. A simple example may be found in eginput/protG/anneal.py together with an XPLOR script which does about the same thing. > > Is there a manual that specifically deals with the newer additions to > xplor such as the python interface and IVM? > We're working on documentation. A description of the design can be found in J. Magn. Reson. 160, 66-74 (2003). The IVM is described in J. Magn. Reson. 152, 288-302 (2001). Online help is available via the python help() command [ try help(xplor) ]. hope this helps-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.2.1 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFA/SFVPK2zrJwS/lYRAt2MAJ93itrbe1WYeBds7aMYMWBSpBs1YACfcK9Q 617hc5APWYDzPpEVvjURFs4= =RnZA -----END PGP SIGNATURE-----
