https://wiki.cs.earlham.edu/index.php?action=history&feed=atom&title=Ccg-chemistry-faq%2FProtein_Structure_Import_Problems 2026-08-10T23:18:48Z Revision history for this page on the wiki MediaWiki 1.44.2 https://wiki.cs.earlham.edu/index.php?title=Ccg-chemistry-faq/Protein_Structure_Import_Problems&diff=5773&oldid=prev 2007-04-10T23:43:01Z

<p></p> <p><b>New page</b></p><div>WebMO may not properly import your molecule from a .pdb file, depending on how the .pdb was created. For example, for NMR structure determination, sometimes hydrogens are not listed as H but as Q (for reasons we need not get into here). Although visualization programs like PyMOL will work fine, WebMO&#039;s import feature doesn&#039;t like this very much.<br /> <br /> If your file looks like this, you&#039;re OK:<br /> <br /> [[Image:workingpdb.png]]<br /> <br /> <br /> However, if your file looks more like this:<br /> <br /> [[Image:brokenpdb.png]]<br /> <br /> you&#039;ll need to make several corrections before proceeding.<br /> <br /> &#039;&#039;&#039;1)&#039;&#039;&#039; Replace any Qs, as circled above, with H.<br /> <br /> &#039;&#039;&#039;2)&#039;&#039;&#039; Delete any numbers PRECEEDING an H (any annotation afterwards, like HAX, is fine).<br /> <br /> This should solve basic import problems.</div>

Hardedo