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] Contact:
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Receptor Molecule:
(PDB:chainId e.g. 2kai:AB)
or
upload file:
Ligand Molecule:
(PDB:chainId e.g. 2kai:I)
or
upload file:
(
Example
: Receptor Molecule:
2kai:AB
, Ligand Molecule:
2kai:I
)
Your e-mail address:
Advanced Options:
(optional)
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Job title
(Do not use spaces!)
Complex Type:
Default
Antibody Antigen
Enzyme Inhibitor
Side-Chain Refinement Level:
Restricted
Full
Backbone Refinement:
Rigid backbone
Flexible Backbone
(flexible backbone is much slower)
Number of RBO Cycles:
Atomic Radius Scale:
Num. of transformations:
Bound/Unbound:
Receptor:
Unbound
Bound
Ligand:
Unbound
Bound
Fixed Residues Files:
Receptor:
Ligand:
Flexible Residues Files:
Receptor:
Ligand:
Transformations File:
(up to 25 transformations)
Example
: Receptor Molecule:
2kai:AB
, Ligand Molecule:
2kai:I
, Transformations File:
2kai_trans.txt
Notice : the file should not consist empty lines!!
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