|
GetAtoms |
Input | |
Template structure file | Data with template protein structure in PDB format |
Template chain | This parameter specifies chain index in template structure to use as model. It shoud contain 1-letter symbol code or '_' symbol for chain without index (' ') in PDB file. |
Alignment file | Data with target-template sequence alignment. Target is first sequence in alignment, template is the second. |
Alignment format | Specifies alignment file format: Simple alignment format FASTA format Local format output by FOLD program Format of alignment by CE program |
Output | |
Result | Output file. |
Format | Specifies format for output structure file: PDB format output AMBER format output |
Status file | The calculation status file. |
Options | |
Optimization temperature | Specifies temperature for MC algorithm of side chain conformation optimization. |
Adding hydrogen atoms | Specifies the addition of hydrogen atoms to final protein model structure. |
Multiple chain processing | Specifies the accounting for additional protein chains in template structure. If 'false' only chain specified in "Template chain" parameter left. If 'true', other chains are left in final structure. |