Edit detail for GenericResidueType revision 1 of 1

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Editor: damberger
Time: 2006/11/13 14:54:28 GMT+0
Note: created GenericResidueType page

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The GenericResidueType is the default ResidueType used for magnetization pathway simulation. This ResidueType is used for peak inference unless one of the following conditions is met:

1. The SpinSystem is assigned to a particular Residue in the sequence (ResidueType of the Residue is used)

2. The SpinSystemType of the SpinSystem is defined. (ResidueType of SpinSystemType is used)

Sometimes peak inference enters the previous SpinSystem in the chain. The GenericResidueType is also used to represent the topology of this SpinSystem unless one of the following conditions are met:

1. The previous SpinSystem is assigned to a particular Residue in the sequence.

2. The SpinSystemType of the previous SpinSystem is defined.


The GenericResidueType is set in the CARA-ResidueType explorer using the context menu "GenericResidueType". It's topology is normally one that reproduces common features of all the ResidueTypes. E.g  all the backbone Atoms are present with their normal linkages. The GenericResidueType is "BB" in the CARA template Start1.2.cara. In addition to the normal backbone atoms, it includes HA2 and HA3 both linked to CA. This is so that GLY SpinSystems can be simulated properly.



The GenericResidueType is the default ResidueType used for magnetization pathway simulation. This ResidueType is used for peak inference unless one of the following conditions is met:

  1. The SpinSystem? is assigned to a particular Residue in the sequence (ResidueType of the Residue is used)
  2. The SpinSystemType of the SpinSystem? is defined. (ResidueType of SpinSystemType is used)

Sometimes peak inference enters the previous SpinSystem? in the chain. The GenericResidueType is also used to represent the topology of this SpinSystem? unless one of the following conditions are met:

  1. The previous SpinSystem? is assigned to a particular Residue in the sequence.
  2. The SpinSystemType of the previous SpinSystem? is defined.

The GenericResidueType is set in the CARA-ResidueType explorer using the context menu "GenericResidueType". It's topology is normally one that reproduces common features of all the ResidueTypes?. E.g all the backbone Atoms are present with their normal linkages. The GenericResidueType is "BB" in the CARA template Start1.2.cara. In addition to the normal backbone atoms, it includes HA2 and HA3 both linked to CA. This is so that GLY SpinSystems? can be simulated properly.