Changes between Version 6 and Version 7 of mmcif-issues

Timestamp:

Mar 10, 2016, 4:01:17 PM (10 years ago)

Author:

meng

Comment:

--

mmcif-issues

@@ -131 +131 @@
 == Metal coordination bonds == #metal
 
-One of the nice things in mmCIF are the explicit metal coordination bonds. Unfortunately, that information is missing if those bonds are within a chemical component. For example, the HEM chemical component gives four separate single bonds to the iron ion, but there can be at most two (chemical knowledge).
+One of the nice things in mmCIF is that inter-residue metal coordination bonds are explicitly indicated as such (i.e., given a separate type). Unfortunately, intra-residue metal coordination bonds (such as within the HEM chemical component) are not marked as the metal coordination type and thus are not distinguished from the standard covalent bonds within the residue.
 
 === Proposed fix: ===