Runname:
The runname will be used as the name for the folder in which you can find the results of the calculation.
TALOS file:
CS ROSETTA uses the TALOS format for the chemical shift list. An example of the format can be found here. If you happen to have the file in BMRB format, click here to download a converter. The format of this file will be validated and the result of the validation will appear on your screen directly.
Number Models:
In this field you can fill out the number of models you want to calculate. The maximum number of models is determined by the level of access you have.
Level 1: 15000 models (default)
Level 2: 30000 models (upon request)
Level 3: 50000 models (upon request)
RCSB PDB to exclude:
It is possible to exclude a protein from the fragment library. This is possible by supplying the PDB code of the protein; the 4-letter PDB code and and 1-letter chain-ID. If mutiple proteins have to be excluded, separate each name by a comma and/or space.
Exclude flexible parts:
The truncate option uses the RCI protocol ( Wishart et al., 2005) to determine whether the protein has flexible parts. Flexible ends will be truncated, and flexible parts will be excluded from the final scoring. Please tick the box to use this option.