Hi,
In order to create a catalyst 3d conformation database using "build 3d database" protocol, i is recommended that no more than 50,000 molecules be used as input.
As a workaround, how do I use the command line program, catDB, to build larger databases in a windows machine? I have also checked the documentation in share/Catalyst/Conf/catDB.doc file, but there doesnt seem to be any reference to its usage in a windows machine.
Any help is appreciated.
regards,
Dilip
In order to create a catalyst 3d conformation database using "build 3d database" protocol, i is recommended that no more than 50,000 molecules be used as input.
As a workaround, how do I use the command line program, catDB, to build larger databases in a windows machine? I have also checked the documentation in share/Catalyst/Conf/catDB.doc file, but there doesnt seem to be any reference to its usage in a windows machine.
Any help is appreciated.
regards,
Dilip