Difference between revisions of "Team:NTHU Taiwan/Model/result Amber"
| Line 75: | Line 75: | ||
<script type="text/javascript"> | <script type="text/javascript"> | ||
var messages = { | var messages = { | ||
| − | success:"Successfully load a result. Press the play button to start the animation and drag your mouse on the molecure to change the view point." | + | success:"Successfully load a result. Press the play button to start the animation and drag your mouse on the molecure to change the view point.", |
| + | printMsg: function(msgBox , msg){ | ||
| + | msgBox.innerHTML = msgBox.innerHTML + msg; | ||
| + | msgBox.scrollTop = msgBox.scrollHeight; | ||
| + | } | ||
}; | }; | ||
var loadingChecker = {//用來檢查模型(json格式)是否已被正確讀入。 | var loadingChecker = {//用來檢查模型(json格式)是否已被正確讀入。 | ||
| Line 88: | Line 92: | ||
loadModels(name,[jsons_part1,jsons_part2]); | loadModels(name,[jsons_part1,jsons_part2]); | ||
this.isChecking = false; | this.isChecking = false; | ||
| − | + | messages.printMsg(feedback,"<p>--"+ messages.success +"</p>"); | |
alert(messages.success); | alert(messages.success); | ||
} | } | ||
| Line 96: | Line 100: | ||
var feedback = document.getElementById('feedback'); | var feedback = document.getElementById('feedback'); | ||
if(loadingChecker.isChecking){ | if(loadingChecker.isChecking){ | ||
| − | + | messages.printMsg(feedback,"<p>--There is a result loading. Please wait until the loading finish...</p>"); | |
} | } | ||
else{ | else{ | ||
| − | + | messages.printMsg(feedback,"<p>--Load the result of "+name+"</p>"); | |
loadingChecker.isChecking = true; | loadingChecker.isChecking = true; | ||
if(checkModelExist(name)){ | if(checkModelExist(name)){ | ||
loadingChecker.isChecking = false; | loadingChecker.isChecking = false; | ||
| − | + | messages.printMsg(feedback,"<p>--"+ messages.success +"</p>"); | |
alert(messages.success); | alert(messages.success); | ||
return true; | return true; | ||
} | } | ||
| − | + | messages.printMsg(feedback,"<p>--Please wait for a moment until the loading finish...</p>"); | |
var sArr = ["",""]; | var sArr = ["",""]; | ||
switch(name){ | switch(name){ | ||
Revision as of 23:36, 19 October 2016
Amber Result
| webGL animation | Mp4 Files |
| PFOA | PFOS | Fluoroacetic Acid |
The molecules displayed are the activity site of fac-dex(Aspartic acid(Asp) and Histidine(His)) and the targets(fluoroacetic acid, PFOA, PFOS).
The movie show what happened with 800 frames in 2ns.
We use the software, "Amber", to confirm if the compound can stay in the activity site and use the software, "VMD" and "Chimera", to export the result.
Choose a result that you want to view:
| PFOA | PFOS | Fluoroacetic Acid |
The molecules displayed are the activity site of fac-dex(Aspartic acid(Asp) and Histidine(His)) and the targets(fluoroacetic acid, PFOA, PFOS).
The animation show what happened with 40 frames in 2ns.
After docking, we did the molecular dynamic simulation. By doing MD simulation, we know that our target ligands are able to stay in active site stably. This makes our project more possible.
