nuget
Helper module for generate protein complex from the autodock vina docking result
ComplexGenerator
01 Syntax
SMRUCC.genomics.Data.RCSB.PDB.ComplexGenerator
02 Methods
| Name | Overloads | Summary |
|---|---|---|
| .ctor | 1 | |
| CreateComplexList | 1 | split the vina docking result and combine with the source protein to generate the complex pdb file list |
03 Members
#ctor(
String, String)Parameters
| Name | Type | Description |
|---|---|---|
prot_id | String | the docking source protein pdb object input |
ligand | String | the docking source ligand pdb object input |
CreateComplexList(
String, String)split the vina docking result and combine with the source protein to generate the complex pdb file list
Parameters
| Name | Type | Description |
|---|---|---|
dock_result | String | - |
Returns
a collection of the pdb content text data of the generated complex in different docking conformations