<br><br><div class="gmail_quote">On Tue, Feb 12, 2013 at 1:48 PM, Anton Feenstra <span dir="ltr"><<a href="mailto:k.a.feenstra@vu.nl" target="_blank">k.a.feenstra@vu.nl</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div class="im">On 12/02/13 12:03, Alexey Shvetsov wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
В письме от 12 февраля 2013 11:26:30 пользователь Anton Feenstra написал:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
On 11/02/13 17:44, Alexey Shvetsov wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi all!<br>
<br>
Is there a reson why resnames and rtp block names arent case sensetive?<br>
Actualy I plan to add glycam06.ff port to gromacs. It has about ~1300 rtp<br>
blocks that are case sensetive.<br>
</blockquote>
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It's error prone, that is the (main) reason they are case insensitive in<br>
Gromacs. Moreover, in the PDB, anything is (or at least used to be)<br>
stored in upper case anyway, so there didn't seem to be any sense in<br>
having lower case (or case sensitive) residue names.<br>
</blockquote>
<br>
Thats true for amino and nucleic acids, but in case for sugars building block<br>
and glycam resname convention it doesnt work. Also pdb file format doesnt<br>
states that resname should be case insensetive.<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
Perhaps adding a keyword/switch option in the particular (rtp/res)<br>
file could enable case sensitive matching on a per file basis?<br>
</blockquote>
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May be better to enable case sensetive resnames by default? As it was done<br>
before for atomnames?<br>
</blockquote>
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Sounds like a good suggestion to me (I didn't<br>
know that atomnames were already case sensitive).</blockquote><div><br></div><div>I can't think of a good reason why not. But I can't think of someone with the time to do it, either :-)</div><div><br></div><div>Mark </div>
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