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Thanks Phil,<br>
<br>
did this:<br>
<br>
egrep -v '^ATOM|HETATM.*H$' m.pdb > m_noH.pdb<br>
<br>
Result:<br>
<br>
in input file (m.pdb) I have:<br>
<br>
<small><font face="Courier New, Courier, monospace">ATOM 1 N
GLY A 1 0.504 -0.494 0.924 1.00 7.85 <br>
ATOM 2 CA GLY A 1 1.272 0.589 0.277 1.00
6.79 <br>
ATOM 3 C GLY A 1 1.700 1.614 1.301 1.00
5.59 <br>
ATOM 4 O GLY A 1 1.434 1.460 2.496 1.00
6.04 <br>
ATOM 0 H1 GLY A 1 0.452 -1.280 0.308 1.00
7.85 <br>
ATOM 0 H2 GLY A 1 0.959 -0.765 1.772 1.00
7.85 <br>
ATOM 0 H3 GLY A 1 -0.420 -0.171 1.131 1.00
7.85 <br>
ATOM 0 HA2 GLY A 1 2.157 0.171 -0.225 1.00
6.79 <br>
ATOM 0 HA3 GLY A 1 0.659 1.070 -0.499 1.00
6.79 <br>
END<br>
</font></small><br>
Output file (m_noH.pdb) contains only:<br>
<br>
END<br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 2/6/14, 12:03 PM, Phil Jeffrey
wrote:<br>
</div>
<blockquote cite="mid:52F3EAA8.7030201@princeton.edu" type="cite">Of
course, because in the shells that I use it will attempt to do
variable name substitution in strings that are double-quoted. (I
make no warranties about all possible shells). However if you use
single quotes:
<br>
<br>
egrep -v '^ATOM|HETATM.*H$' your.pdb > your_noH.pdb
<br>
<br>
Should work just fine in tcsh, csh at the very least.
<br>
<br>
Phil
<br>
<br>
On 2/6/14 2:52 PM, Pavel Afonine wrote:
<br>
<blockquote type="cite">Hi Tim,
<br>
<br>
On 2/6/14, 10:52 AM, Tim Gruene wrote:
<br>
<blockquote type="cite">the simple and qucik command
<br>
<br>
egrep -v "^ATOM|HETATM.*H$" your.pdb > your_noH.pdb
<br>
<br>
should also work.
<br>
</blockquote>
<br>
just out of curiosity I did (copy-paste of your example)
<br>
<br>
egrep -v "^ATOM|HETATM.*H$\" m.pdb > m_noH.pdb
<br>
<br>
and I got:
<br>
<br>
Illegal variable name.
<br>
<br>
Pavel
<br>
<br>
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