Class HaddockEasyInterface

source code

object --+
         |
        HaddockEasyInterface

Spyder-generated class

module haddock

file /home/sjoerd/data/Spyder-devel/haddock/haddock.spy

Description

Web form for the HADDOCK server Easy Interface

Wiki

http://www.spyderware.nl/wiki/classes/HaddockEasyInterface

Validate block

>>>            
has_r1 = (p1.r != None and (len(p1.r.activereslist) > 0 or len(p1.r.passivereslist) > 0))
has_r2 = (p2.r != None and (len(p2.r.activereslist) > 0 or len(p2.r.passivereslist) > 0)) 
if not has_r1: raise HaddockValidationError("You must supply active and/or passive residues for your first protein.")    
if not has_r2: raise HaddockValidationError("You must supply active and/or passive residues for your second protein.")
if len(p1.r.activereslist) == 0 and len(p2.r.activereslist) == 0:
raise HaddockValidationError("You have defined only passive residues. HADDOCK needs at least one active residue to drive the docking.")
if len(p1.r.activereslist) == 0 and len(p2.r.passivereslist) > 0:
raise HaddockValidationError("Protein 1 has no active residues defined. Therefore, it is meaningless to define passive residues on protein 2. Please remove the passive residues on protein 2.")        
if len(p2.r.activereslist) == 0 and len(p1.r.passivereslist) > 0:
raise HaddockValidationError("Protein 2 has no active residues defined. Therefore, it is meaningless to define passive residues on protein 1. Please remove the passive residues on protein 1.")        
if runname != None:
runname = runname.strip()
self.runname = runname
if not runname.replace("_","").replace("-","").isalnum():
raise HaddockValidationError("The name of your run may contain only letters, digits, _ and -")               
>>>

Form block

>>>            
HEADER runname You may supply a name for your docking run (one word) 
runname Name
p1 First molecule
p2 Second molecule
HEADER username Username and password
TYPE username required
username Username
TYPE password password
password Password               
>>>

Converters

Can be converted to:

• HaddockExpertInterface
  • CAST
• HaddockGuruInterface
  • CAST

Can be converted from:

• HaddockExpertInterface
  • CAST
• HaddockGuruInterface
  • CAST