<div dir="ltr">I am writing a tpr parser in Python for MDAnalysis, so curious about it. <div><br></div><div>I have already written one for parsing tpr files of version tpx 58 and 73 using the Python module xdrlib, which follows RFC 1014.</div>
<div><br></div><div style>Using the gromacs library is possibly a better idea, but I am still not sure of how to compile it alone and then call it from Python. The disadvantage is that in that case, MDAnalysis will need to depend on Gromacs.</div>
<div style><br></div><div style>Does that mean the XDR version doesn't matter?</div><div style><br></div><div style>Zhuyi</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Thu, May 23, 2013 at 11:58 AM, David van der Spoel <span dir="ltr"><<a href="mailto:spoel@xray.bmc.uu.se" target="_blank">spoel@xray.bmc.uu.se</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="HOEnZb"><div class="h5">On 2013-05-23 17:54, Zhuyi Xue wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi, there,<br>
<br>
I am wondering which version of XDR does tpr file strictly follow. Is it<br>
RFC 1014 in 1987 (<a href="http://tools.ietf.org/html/rfc1014" target="_blank">http://tools.ietf.org/html/<u></u>rfc1014</a>) or RFC 1832 in<br>
1995 (<a href="http://www.ietf.org/rfc/rfc1832.txt" target="_blank">http://www.ietf.org/rfc/<u></u>rfc1832.txt</a>), or it just doesn't matter?<br>
<br>
Thank you,<br>
Zhuyi<br>
<br>
<br>
</blockquote></div></div>
Why do you care?<br>
<br>
If you try to read it yourself you are wasting your time. You can just link to the gromacs library.<span class="HOEnZb"><font color="#888888"><br>
<br>
-- <br>
David van der Spoel, Ph.D., Professor of Biology<br>
Dept. of Cell & Molec. Biol., Uppsala University.<br>
Box 596, 75124 Uppsala, Sweden. Phone: <a href="tel:%2B46184714205" value="+46184714205" target="_blank">+46184714205</a>.<br>
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</font></span></blockquote></div><br></div>