Changeset 1520 in rotdif

Timestamp:

Aug 18, 2018, 4:48:01 PM (2 years ago)

Author:

yuexi

Message:

elm json

Files:

• bin/rotdif-1.1.jar (modified) (previous)
• directives.json.template (modified) (1 diff)
• files/welcome_my.html (modified) (2 diffs)
• menu.json (modified) (2 diffs)
• modules/elm.json (added)

directives.json.template

@@ -2 +2 @@
 # comments are ok but must start the line in this JSON
 {
-  "title"                     : "ROTDIF_tmplate",
+  "title"                     : "ROTDIF_in_tmplate_Yuexi",
 
 # the application name should not contain any special characters

files/welcome_my.html

@@ -10 +10 @@
     <span style=
     "font-size:16pt;font-family:'Times New Roman'"> 
-      The relaxation toolbox (ROTDIF) has several important capabilities. 
+      The relaxation toolbox ROTDIF has several important capabilities. 
       First, it consists of a new version of the ROTDIF program, which can now simultaneously analyze relaxation data for 
       15N and 13C at several fields. The new ROTDIF 3.0 is orders of magnitude faster than the previous version, and is now able 
-      to accurately compute a fully anisotropic rotational diffusion tensor from a 250+ bond dataset in under 0.05 s, on a standard 
-      laptop. ROTDIF is also more robust, based on our simulations, when processing data with large conformational exchange contributions. 
+      to accurately compute a fully anisotropic rotational diffusion tensor from a 250+ bond dataset in under 0.05 s. ROTDIF is also more robust, 
+      based on our simulations, when processing data with large conformational exchange contributions. 
       Order parameters can also be rapidly computed. The toolbox also contains ELM3 and ELMDOCK, a program for ab initio prediction of the 
       rotational diffusion tensor from molecular structure, and the
@@ -23 +23 @@
     <p></p>
     <p> <u>If you use ROTDIF in your work, please cite: </u></p>
-    <p style="color:#ffa500"> XXX et al.,  <span style=
-    "font-style:italic;font-size:14pt;font-family:'Times New Roman'">Journal of XXX</span> XX, 201X, XXX-XXX </p>
-
+    <p style="color:#ffa500"> [1] Berlin K et al., Deriving quantitative dynamics information for proteins and RNAs using ROTDIF with a graphical user interface <span style="font-style:italic;font-size:14pt;font-family:'Times New Roman'"> J Biomol NMR </span> 2013 Dec;57(4):333-52 </p>
+    <p style="color:#ffa500"> [2] Walker O et al., Efficient and accurate determination of the overall rotational diffusion tensor of a molecule from 15N relaxation data using computer program ROTDIF  <span style=
+    "font-style:italic;font-size:14pt;font-family:'Times New Roman'"> J Magn Reson </span> 2004 Jun;168(2):336-45. </p> 
  </div>

menu.json

@@ -61 +61 @@
 
         ,{ 
-            "id"      : "rotdif",
+            "id"      : "rotdif_menu",
             "label"   : "Run ROTDIF",
             "icon"    : "pngs/simulate.png",
             #"help"    : "help text",
-            "autorun" : "rotdif_local",
+            #"autorun" : "rotdif_all",
             "modules" : [ 
                          { 
-                          "id"    : "rotdif_local",
-                          "label" : "Param_m",
-                          "nobutton" : "true"
-                         }
+                          "id"    : "rotdif_all",
+                          "label" : "ROTDIF & Dynamics Analysis",
+                          "views" : [ "Input", "Output", "Plots", "OpenGL" ]
+                         },
+                          {
+                          "id"    : "elm",
+                          "label" : "Diffusion Tensor Prediction",
+                          "views" : [ "Input", "Output", "Plots", "OpenGL" ]
+                          },
+                         {   
+                          "id"    : "elmdock",
+                          "label" : "Diffusion Tensor-Guided Docking",
+                          "views" : [ "Input", "Output", "Plots", "OpenGL" ]
+                          }                          
                         ]
             }
-
-
-           ,{ 
+        ,{ 
             "id"         : "admin",
             "restricted" : "admin",
@@ -115 +123 @@
                           ]
           }
-     
-    ]
+]
 }