https://cyana.org/w/index.php?action=history&feed=atom&title=CYANA_Commands%3A_library_check 2026-04-20T04:01:22Z Revision history for this page on the wiki MediaWiki 1.45.1 https://cyana.org/w/index.php?title=CYANA_Commands:_library_check&diff=4564&oldid=prev 2009-01-28T23:35:42Z

<p>1 revision</p> <p><b>New page</b></p><div><br /> == Parameters ==<br /> <br /> ; (none) <br /> <br /> == Description ==<br /> <br /> This command checks the current residue library for<br /> inconsistencies. This command is also called implicitly when reading<br /> a residue library file with the &#039;&#039;&#039;read lib&#039;&#039;&#039; command.<br /> <br /> The following problems are reported:<br /> <br /> * Duplicate residue names<br /> * Duplicate dihedral angle names<br /> * Duplicate atom names<br /> * Dihedral angles that affect preceding dihedral angles<br /> <br /> The latter error occurs if the order of the dihedral angles and/or<br /> atoms within a residue is incorrect. To be compatible with the tree<br /> structure of dihedral angles, the dihedral angles and the atoms must<br /> be ordered according to two rules:<br /> <br /> 1. A change of a dihedral angle must not affect the<br /> positions of the first, second, third, or forth<br /> atom in any preceding dihedral angle definition.<br /> 2. The set of atoms whose positions will be affected<br /> by a change of a dihedral angle consists of all<br /> atoms following the third atom in the dihedral<br /> angle definition up to the fifth (last) atom in<br /> the dihedral angle definition in the library, or<br /> the end of the main chain for backbone dihedral<br /> angles.</div>

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