import Topology.Driver as Driver
import clearDB
import pdb
#welcome message
print "Welcome to MMTools v0.1\n\nWe will now read in the default topology (system_GMX.top) and structure files (system_GMX.gro) and output to \"system_GMX_out.gro\" and \"system_GMX_out.top\""
username = raw_input("Enter your username (hint: cs4750pmc8pausr or cs4750pmc8palgn): ")
password = raw_input("Enter your password (hint: usr or lgn):")
print "\n\n" + username + "\t" + password
#prompt for user name with hint
#prompt for password with hint
Driver.initSystem("Solvated GMX", "stardock.cs.virginia.edu", username,password)
#read only
#Driver.initSystem("Solvated GMX", "stardock.cs.virginia.edu", "lgn",false)
Driver.loadTopology("system_GMX.top")
#Driver.loadStructure("system_GMX.gro")
Driver.writeTopology("system_GMX.array")
#Driver.writeStructure("system_GMX_out.gro")
#Driver.writeTopology("system_GMX_out.top")
import Topology.Driver as Driver
import clearDB
import pdb
#welcome message
print "Welcome to MMTools v0.1\n\nWe will now read in the default topology (system_GMX.top) and structure files (system_GMX.gro) and output to \"system_GMX_out.gro\" and \"system_GMX_out.top\""
username = raw_input(
"Enter your username (hint: cs4750pmc8pausr or cs4750pmc8palgn): ")
password = raw_input("Enter your password (hint: usr or lgn):")
print "\n\n" + username + "\t" + password
#prompt for user name with hint
#prompt for password with hint
Driver.initSystem("Solvated GMX", "stardock.cs.virginia.edu", username,
password)
Driver.loadTopology("system2_GMX.top")
Driver.writeTopology("system2_GMX.array")
#pdb.set_trace()
#Driver.loadStructure("system2_GMX.gro")
#Driver.writeStructure("system2_GMX_out.gro")
#Driver.writeTopology("system2_GMX_out.top")
import Topology.Driver as Driver
import pdb
Driver.initSystem("Solvated 2PPN")
Driver.loadStructure("2PPN.gro")
Driver.loadTopology("2PPN.top")
Driver.writeStructure("2PPNout.gro")
Driver.writeTopology("2PPNout.top")
