Skip to content

Commit

Permalink
Merge pull request #1 from KlasJoenssson/UppdateCheatSheet
Browse files Browse the repository at this point in the history
Update cheat sheet
  • Loading branch information
goglepox committed Mar 13, 2012
2 parents 26ee791 + 341466c commit c68bb8b
Show file tree
Hide file tree
Showing 4 changed files with 16 additions and 17 deletions.
15 changes: 7 additions & 8 deletions plugins/net.bioclipse.qsar.ui/cheatsheets/getting_started.xml
@@ -1,6 +1,6 @@
<?xml version="1.0" encoding="UTF-8"?>
<cheatsheet
title="Calculating CDK Properties">
title="Getting started with Bioclipse-QSAR">
<intro>
<description>
This tutorial gives a brief introduction for working with the Bioclipse-QSAR functionality in Bioclipse.
Expand All @@ -11,7 +11,7 @@
title="Step 1: Creating a QSAR Project">
<description>

Go to menu <b>File > New... > Other</b> and create a new QSAR Project.
Go to menu <b>File > New... > QSAR</b> and create a new QSAR Project.

</description>
<command
Expand All @@ -23,11 +23,11 @@
title="Step 2: Using the QSAR editor">
<description>

Double-clicking on the file qsar.xml in the Navigator opens the QSAR Editor.
This editor allows for the setup of daaset in a novel file format called QSAR-ML.<br/><br/>
Double-clicking on the file qsar.xml in your QSAR project-folder in the Navigator opens the QSAR Editor.
This editor allows for the setup of dataset in a novel file format called QSAR-ML.<br/><br/>

The tabs at the bottom of the editor allows for specifying data and metadata for the
qsar dataset.<br/><br/>
QSAR dataset.<br/><br/>

The tab <b>Information</b> allows for adding metadata about the dataset.<br/><br/>

Expand All @@ -42,9 +42,8 @@

The tab <b>Sources</b> displays the QSAR-ML source.<br/><br/>

Note that the dataset is built in the background when you save,
if you have at least one structure and one descriptor chosen. The results are cached
so it will not be calculated again if already calculated.
Saving the file and then pressing the build-button, the gear with a green triangle in the bottom right corner, will calculate the values.
The results are cached so it will not be calculated again if already calculated.
The calculated values are saved in the QSAR-ML but also in a comma-separated
file called <b>dataset.csv</b>. <br/><br/>

Expand Down
11 changes: 5 additions & 6 deletions plugins/net.bioclipse.qsar.ui/cheatsheets/qsar-r.xml
@@ -1,7 +1,6 @@
<?xml version="1.0" encoding="UTF-8"?>
<cheatsheet
title="Accessing QSAR data from R">
<intro>
title="Using QSAR data in R<intro>
<description>
This tutorial demonstrates how to use R to analyze QSAR. Note that R is experimental and must be installed from the experimental update site before following this tutorial.
</description>
Expand All @@ -10,8 +9,8 @@
<item
title="Step 1: Open the R Console">
<description>
If you have R installed, you can access it directly from Bioclipse via the R-console.
Reveal the R-console from the menu <b>Window > Show View > Other</b> and select <b>R Console</b>
If you have R installed, then installing the Bioclipse-R Intergration feature let you access R directly from Bioclipse via the R-console.
Reveal the R-console from the menu <b>Window > Show View > Other</b> and select <b>R Console</b>.
</description>
<command
required="false"
Expand All @@ -25,7 +24,7 @@
Loading the dataset into R can be achieved by entering, in the R Console:<br/><br/>
<b>dataset=read.delim(file="myQsarProject/dataset.csv", sep=",", header=TRUE, row.names=1, na.strings="NaN")</b>
<b>dataset &lt;- read.delim(file="myQsarProject/dataset.csv", sep=",", header=TRUE, row.names=1, na.strings="NaN")</b>
</description>
Expand All @@ -37,7 +36,7 @@
Here is a simple example to demonstrate how the read file can be analyzed in R:<br/><br/>
<b>datasat=as.matrix(dataset)</b><br/><br/>
<b>dataset &lt;- as.matrix(dataset)</b><br/><br/>
<b>mod &lt;- lm(dataset[,1] ~ dataset[,2:ncol(dataset)], na.action=na.omit)</b><br/><br/>
<b>plot(mod)</b><br/><br/>
Expand Down
5 changes: 3 additions & 2 deletions plugins/net.bioclipse.qsar.ui/cheatsheets/scripting_qsar.xml
Expand Up @@ -56,14 +56,15 @@

<b>qsar.calculate(molecules, descriptors)</b><br/><br/>

The gist 95189 shows a script to demonstrate this.
The gist 95189 shows a script to demonstrate this. To run it; just save it as a JavaScript,
e.g. as &qt;qsar-multi.js&qt;. Then open the file and run it.

</description>

<action
pluginId="net.bioclipse.scripting.ui"
class="net.bioclipse.scripting.ui.actions.ScriptAction"
param1="res=gist.download(95189,&quot;/Virtual/qsar-multi.js&quot;); ui.open(res); js.executeFile(res)"/>
param1="ui.open(gist.download(95189))"/>

</item>

Expand Down
2 changes: 1 addition & 1 deletion plugins/net.bioclipse.qsar.ui/plugin.xml
Expand Up @@ -157,7 +157,7 @@
composite="false"
contentFile="cheatsheets/qsar-r.xml"
id="net.bioclipse.qsar.cheatsheet.qsar_r"
name="Accessing QSAR data from R"/>
name="Using QSAR data in R"/>

</extension>
<extension
Expand Down

0 comments on commit c68bb8b

Please sign in to comment.