Subsections


residue.create

Image residue Image list-add-relax-blue

Synopsis

Create a new residue.

Defaults

residue.create(res_num=None, res_name=None, mol_name=None)

Keyword arguments

res_num: The residue number.

res_name: The name of the residue.

mol_name: The name of the molecule to add the residue to.

Description

Using this, a new sequence can be generated without using the sequence user functions. However if the sequence already exists, the new residue will be added to the end of the residue list (the residue numbers of this list need not be sequential). The same residue number cannot be used more than once. A corresponding single spin system will be created for this residue. The spin system number and name or additional spin systems can be added later if desired.

Prompt examples

The following sequence of commands will generate the sequence 1 ALA, 2 GLY, 3 LYS:

[numbers=none]
relax> residue.create(1, 'ALA')

[numbers=none]
relax> residue.create(2, 'GLY')

[numbers=none]
relax> residue.create(3, 'LYS')


The relax user manual (PDF), created 2016-10-28.