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building_a_hydrate_lattice [2018/05/08 11:42] editbuilding_a_hydrate_lattice [2018/05/08 11:48] (current) edit
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 - __Slab Size C:__ Size of final slab in the Z direction as a multiple of the unit cell size, Enter a value greater than zero  \\ - __Slab Size C:__ Size of final slab in the Z direction as a multiple of the unit cell size, Enter a value greater than zero  \\
  
-Example: A = 2 , B = 2 , C = 1 creates a 2 X 2 X 1 slab of the unit cell in the input file \\+Example: A = 2 , B = 2 , C = 1 creates a 2x2x1 slab of the unit cell in the input file \\
  
 - __Number of spaces to 1st coordinate:__ Number of words/spaces before the x-coordinate in the input .pdb file, used for parsing the coordinates (Enter 5 as the default value)   \\ - __Number of spaces to 1st coordinate:__ Number of words/spaces before the x-coordinate in the input .pdb file, used for parsing the coordinates (Enter 5 as the default value)   \\
  
 Click "Generate Hydrate" to execute the program and close the program. Check the ouptput path for the results of the program.  \\ Click "Generate Hydrate" to execute the program and close the program. Check the ouptput path for the results of the program.  \\
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 +\\
  
- +If you have any question, feel free to email me at kmanayer(at)yahoo(dot)com  \\
-(see 4112809_justOxygen_output.cif and 4112807_justOxygen_output.cif) +
  
building_a_hydrate_lattice.1525794122.txt.gz · Last modified: 2018/05/08 11:42 by edit