Hello!
I want to write a script to prepare some proteins by the protocol of prepare protein.
Here is the code of the script. But I always get the error information, which is "Error: The parameter Input Protein can only be set to an object of type class MolecularDataModel::OrdCollection. at file line 17 in access to ReplaceItem".
Thank you for your help!
# Include DSCommands
use DSCommands;
use MdmDiscoveryScript;
use ProtocolDiscoveryScript;
my \\\$proteinfile = 'F:\\pretherm\\dsscript\\1otr.pdb';
my \\\$moleculeData = DiscoveryScript::Open(\\\$proteinfile);
my \\\$session = Protocol:
ocument:
efaultSession();
my \\\$protocolName = 'Prepare Protein';
# Creating protocol document
my \\\$document = Protocol:
ocument::Create(\\\$protocolName, \\\$session);
# Edit protocol parameters.
# - specifying the molecule is required
\\\$document->ReplaceItem('Input Protein', \\\$moleculeData);
# Launch Pipeline Pilot protocol
my \\\$task = \\\$session->Launch(\\\$document);
I want to write a script to prepare some proteins by the protocol of prepare protein.
Here is the code of the script. But I always get the error information, which is "Error: The parameter Input Protein can only be set to an object of type class MolecularDataModel::OrdCollection. at file line 17 in access to ReplaceItem".
Thank you for your help!
# Include DSCommands
use DSCommands;
use MdmDiscoveryScript;
use ProtocolDiscoveryScript;
my \\\$proteinfile = 'F:\\pretherm\\dsscript\\1otr.pdb';
my \\\$moleculeData = DiscoveryScript::Open(\\\$proteinfile);
my \\\$session = Protocol:
my \\\$protocolName = 'Prepare Protein';
# Creating protocol document
my \\\$document = Protocol:
# Edit protocol parameters.
# - specifying the molecule is required
\\\$document->ReplaceItem('Input Protein', \\\$moleculeData);
# Launch Pipeline Pilot protocol
my \\\$task = \\\$session->Launch(\\\$document);
