Hi,<br><br>I wrote a small python wrapper around the new libxdr. <br>Nothing has to be compile. It just uses the library. <br>It requires libxdr as shared library (the library has to be in the LD_PATH) and it requires ctypes (part of python 2.5 seperate available for older python)<br>
<br>With it one can print the 1st x-coordinates of each frame by:<br>from xdrfile import *<br>x=xdrfile("test.xtc")<br>for f in x:<br> print f.x[0][0]<br><br>(all possible errors are raised as python IO exceptions)<br>
<br>Can I commit it to cvs to the src folder? It would not generate any dependencies. I wouldn't add it to the Makefile.<br><br>attached is the wrapper and the test routine.<br><br>It could be extended (I don't use numpy yet and it can't do trr yet). But I think it is already useful like it is.<br>
<br>Roland<br><br clear="all"><br>-- <br>ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov">cmb.ornl.gov</a><br>865-241-1537, ORNL PO BOX 2008 MS6309<br>