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Molecules tabIn the top frame of the Molecules tab of CcpNmr ECI, you can see the chains that are found in the "MolSystem" selected in the Main tab; this is the "MolSystem" that is used in the current study. Most of the data in this tab is for information about the selected "MolSystem" only. The top frame shows information about the chains in the "MolSystem" and it is possible to edit the information about the chemical exchange state of each chain, whether the chain is a conformational isomer or not and also the physical state of each chain (native, unfolded, denatured, etc.). In the middle frame, you can examine information about each molecule in the "MolSystem" such as the type of molecule (protein, DNA, other, etc.), and the sequence of polymeric molecules. You can also add a database cross reference. Selecting a database name from the pulldown menu or a custom database will automatically add an accession code ("TmpAcc"), which you can change to the correct value in the text box. There are also other fields that you can edit relating to the molecule such as which database details, molecule details, any sequence mutations from the native protein, domain/fragment information and a list of EC numbers in a multi-select text widget. The bottom frame shows a summary of information about any non-standard monomers in any of the polymeric molecules and any non-polymeric ligands in the complex such as metals or simple organic molecules. 
The Molecules tab. The top frame shows chains, the middle frame contains molecules and the bottom frame shows non-standard monomers and/or ligands. |
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