Package name.mjw.jamber.IO.OpenMM

Examples of name.mjw.jamber.IO.OpenMM.OpenMMXML

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  @Test
  public void testOpenMMXML() {

    // Create the OpenMMXML object
    openMMXML = new OpenMMXML(parameterStore, lib);

    String coreName = "ritonavir";
    String path;
    try {
      // Get path relative to the test directory
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  @Test
  public void testOpenMMXML() {

    // Create the OpenMMXML object
    openMMXML = new OpenMMXML(parameterStore, lib);

    String coreName = "amber99";
    String path;
    try {
      // Get path relative to the test directory
View Full Code Here
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  @Test
  public void testOpenMMXML() {

    // Create the OpenMMXML object
    openMMXML = new OpenMMXML(parameterStore, lib);

    String coreName = "bromoergocryptine";
    String path;
    try {
      // Get path relative to the test directory
View Full Code Here
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  @Test
  public void testOpenMMXML() {

    // Create the OpenMMXML object
    openMMXML = new OpenMMXML(parameterStore, lib);

    String coreName = "CPDI_CYP";
    String path;
    try {
      // Get path relative to the test directory
View Full Code Here
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  @Test
  public void testOpenMMXML() {

    // Create the OpenMMXML object
    openMMXML = new OpenMMXML(parameterStore, lib);

    String coreName = "erythromycin";
    String path;
    try {
      // Get path relative to the test directory
View Full Code Here
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  @Test
  public void testOpenMMXML() {

    // Create the OpenMMXML object
    openMMXML = new OpenMMXML(parameterStore, lib);

    String coreName = "ketoconazole";
    String path;
    try {
      // Get path relative to the test directory
View Full Code Here
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  @Test
  public void testOpenMMXML() {

    // Create the OpenMMXML object
    openMMXML = new OpenMMXML(parameterStore, lib);

    String coreName = "benzene";
    String path;
    try {
      // Get path relative to the test directory
View Full Code Here
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  @Test
  public void testOpenMMXML() {

    // Create the OpenMMXML object
    openMMXML = new OpenMMXML(parameterStore, lib);

    String coreName = "aceticAcid";
    String path;
    try {
      // Get path relative to the test directory
View Full Code Here
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Related Classes of name.mjw.jamber.IO.OpenMM.OpenMMXML

  • name.mjw.jamber.IO.AMBER.Atom
  • name.mjw.jamber.IO.AMBER.AtomType
  • name.mjw.jamber.IO.OpenMM.OpenMMXMLWithLibTest
  • name.mjw.jamber.IO.OpenMM.OpenMMXMLWithMol2AceticAcidTest
  • name.mjw.jamber.IO.OpenMM.OpenMMXMLWithMol2BenzeneTest
  • name.mjw.jamber.IO.OpenMM.OpenMMXMLWithMol2BromoergocryptineTest
  • name.mjw.jamber.IO.OpenMM.OpenMMXMLWithMol2CYPCPDITest
  • name.mjw.jamber.IO.OpenMM.OpenMMXMLWithMol2ErythromycinTest
  • name.mjw.jamber.IO.OpenMM.OpenMMXMLWithMol2KetoconazoleTest
  • name.mjw.jamber.IO.OpenMM.OpenMMXMLWithMol2RitonavirTest
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