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<div>Hi David,</div><div><br></div><div>Thank you, yes I am in the process of trying to do this.</div><div><br></div><div>Thank you for the suggestion of the spacing too, something I didn't think of.</div><div><br></div><div>Patrick </div><br><br><blockquote style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #0000ff 2px solid; MARGIN-RIGHT: 0px"><div class="msgHeaders">-----Original Message-----<br><b>From:</b> davidsshin@lbl.gov<br><b>Sent:</b> Tue, 10 Feb 2015 17:46:35 -0800<br><b>To:</b> <br><b>Subject:</b> Re: [Biopython] Extracting a PDB list<br><br></div><div class="oldBody"><div><div dir="ltr">Hi Patrick,<div><br></div><div>You should be able to write a script to do this (shell script with some python or awk).</div><div><br></div><div>Off the top of my head, for each file you would:</div><div><br></div><div>for each file:</div><div> extract the lines with ^ATOM into a new file to make things easier</div><div> read each line into some list</div><div> subtract the residue number from each line from the next line in the list</div><div> if that value is > 1 </div><div> print something ( the file name, or some flag)</div><div> else there are no breaks... can do something else if you want</div><div>end</div><div><br></div><div>The only tough parts are using spaces to separate items. If say a protein had 1000 residues, then the 1000 will run into the chain ID. So that's something to consider. Using specific column numbers would be the better way. </div><div><br></div><div>That and I'm not sure about the uniformity of PDB files that are really old.</div><div><br></div><div>Let me know if that helps, if not, I can maybe help out further.</div><div><br></div><div>Dave</div><div><br></div><div><br></div><div><br></div><div _class="gmail_extra"><br><div _class="gmail_quote">On Tue, Feb 10, 2015 at 2:24 PM, João Rodrigues <span dir="ltr"><<a href="mailto:j.p.g.l.m.rodrigues@gmail.com" target="_blank">j.p.g.l.m.rodrigues@gmail.com</a>></span> wrote:<br><blockquote _class="gmail_quote" _style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Hi,<div><br></div><div>Without manually checking every single one, there is no such list, at least that I know of. Your best bet could be to reduce your resolution as low as possible, usually those structures are of very good quality.</div><div><br></div><div>Cheers,</div><div><br></div><div>João</div></div><div><div><div _class="gmail_extra"><br><div _class="gmail_quote">2015-02-10 22:35 GMT+01:00 PC <span dir="ltr"><<a href="mailto:patrick.cossins@inbox.com" target="_blank">patrick.cossins@inbox.com</a>></span>:<br><blockquote _class="gmail_quote" _style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi,<br>
<br>
I do know about PISCES lists but I want a list of PDB's without any chain breaks.<br>
<br>
Is there such a list or a way to obtain such a list?<br>
<br>
Thank you.<br>
<br>
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