Skip to content

Commit 49ed027

Browse files
committed
Update README.md
Editing README.md
1 parent 1cb05f0 commit 49ed027

File tree

1 file changed

+35
-35
lines changed

1 file changed

+35
-35
lines changed

README.md

Lines changed: 35 additions & 35 deletions
Original file line numberDiff line numberDiff line change
@@ -38,7 +38,7 @@ set_view(\
3838
```
3939

4040
### Solution:
41-
the function `roundview()` in the script [`roundview.py`](.\roundview.py) which is available from this website.
41+
The function `roundview()` in the script [`roundview.py`](.\roundview.py), which is available from this website.
4242

4343
```py
4444
PyMOL>roundview
@@ -49,7 +49,7 @@ Paste the above reformated [`set_view()`](http://pymolwiki.org/index.php/Set_Vie
4949

5050
###What is the roundview() function?
5151

52-
The Python script roundview.py includes the function `roundview()` that reformats the viewing port settings from seven rows to one row. The more compact format from roundview() is easy to copy and paste onto the command line. Other commands that are separated by semicolons can be added to the command line along with the settings. This defines a horiontal script. The script can include comments that are isolated by semicolons. The horizontal script can be edited and tested within PyMOL for many iterations without using an external text editor. This saves time during the development of a new molecular scene. The cursor can be moved quickly on the command line with the readline commands:
52+
The Python script roundview.py includes the function `roundview()` that reformats the viewing port settings from seven rows to one row. The more compact format from `roundview()` is easy to copy and paste onto the command line. Other commands that are separated by semicolons can be added to the command line along with the settings. This defines a horiontal script. The script can include commnents that are isolated by semicolons. The horizontal script can be edited and tested repeatedly within PyMOL for many cycles without using an external text editor. This saves time during the development of a new molecular scene. The cursor can be moved around quickly on the command line with the readline commands:
5353

5454
* **cntrl-a** moves cursor to the beginning of the line
5555
* **cntrl-e** moves cursor to the end of the line
@@ -64,26 +64,26 @@ Requires a molecular object loaded into an interactive session of PyMOL. Does no
6464
Tested on:
6565
* Ubuntu 14.04 64 bit with PyMOL 1.7.2.2.
6666
* Windows 8 32 bit running PyMOL 1.7.6.2 and PyMOL 1.7.6.6.
67-
* Mac OSX 10.10.5 64 bit running PyMOL 1.5.0.5, 1.7.6.6 (via macports), and 1.8.0.5.
67+
* Mac OSX 10.10.5 64 bit running PyMOL 1.5.0.5, 1.7.6.6 (via MacPorts), and 1.8.0.5.
6868

6969
We tried to make the code backward compatible to PyMOL 1.5. We do not gaurantee that this code works with earlier versions of PyMOL. Nor do we guarantee that the code will not fail in future versions of PyMOL. In PyMOL version 1.6, there were
7070
several changes that reduced the backward compatibility. We also do not guarantee that the code will work if you install the code in a location that is different from that described below.
7171

7272
###Instructions
7373

74-
#### Quick start instructions for beginning users of Github
74+
####Quick start instructions for beginning users of Github
7575

7676
Watch this 1 minute video or read on.
7777

7878
[![IMAGE ALT TEXT HERE](http://img.youtube.com/vi/watch?v=GnRtEhGvPBQ/0.jpg)](http://www.youtube.com/watch?v=GnRtEhGvPBQ)
7979

8080

81-
Copy script from [this link](https://github.com/MooersLab/EasyPyMOL/blob/master/roundview.py) after clicking on "RAW" in the upper -hand corner and paste into a plain text file (NOT a doc, docx, or rtf file). Name the script file [`roundview.py`](./roundview.py). Save the file to your home directory (e.g., /Users/username or /home/username or C:\Users\username). Start PyMOL. Check that PyMOL's current directory is the home directory by entering "pwd" on the command line in PyMOL. Check for presence of roundview.py by entering "ls *.py" on the command line in PyMOL.
81+
Copy script from [this link](https://github.com/MooersLab/EasyPyMOL/blob/master/roundview.py) after clicking on "RAW" in the upper right corner and paste into a plain text file (NOT a doc, docx, or rtf file). Name the script [`roundview.py`](./roundview.py). Save the file to your home directory (e.g., /Users/username or /home/username or C:\Users\username). Start PyMOL. Check that PyMOL's current directory is the home directory by entering `pwd` on the command line in PyMOL. Check for presence of roundview.py by entering `ls *.py` on the command line in PyMOL.
8282

8383
```shell
8484
ls *.py
8585
```
86-
Paste the following horizontal script on the command line in PyMOL just below the command history window in the top or external gui:
86+
Paste the following horizontal script on the command line just below the command history window in the top or external gui:
8787
```shell
8888
fetch 1lw9, async=0; run roundview.py; roundview 0,1
8989
```
@@ -92,12 +92,12 @@ You should see the following in the command history window of the top gui:
9292
set_view (1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,-155.2,35.1,11.5,9.7,122.3,188.0,-20.0);
9393
```
9494

95-
Type the following to see the default format from get_view().
95+
Type the following to see the default format from get_view.
9696
```shell
9797
get_view
9898
```
9999

100-
Does the output from roundview() or from getview() look easier to copy from the command history window and paste onto the command line in PyMOL?
100+
Which ouput looks easier to copy from the command history window and paste onto the command line in PyMOL?
101101

102102
#### More advanced ways to install roundview.py
103103

@@ -107,12 +107,12 @@ Get the script. Either download the folder from [this link](https://github.com/M
107107
git clone https://github.com/MooersLab/EasyPyMOL.git
108108
```
109109

110-
You need the program [Git](https://git-scm.com/) installed on your computer. Git is available via MNacPorts on a mac or otherwise [see these instructions for installing git](https://git-scm.com/book/en/v2/Getting-Started-Installing-Git).
110+
You need the program [Git](https://git-scm.com/) installed on your computer. Git is available via macports on a mac or otherwise [see these instructions for installing git](https://git-scm.com/book/en/v2/Getting-Started-Installing-Git).
111111

112112

113113
There are at least four different ways of loading the script into PyMOL:
114114

115-
1. move [`roundview.py`](./roundview.py) to the working directory of PyMOL. In PyMOL, type
115+
1. move [`roundview.py`](./roundview.py) to the working directory of pymol. In PyMOL, type
116116

117117
```py
118118
run roundview.py
@@ -161,7 +161,7 @@ Type "roundview" on either command line. You should get back the following in th
161161

162162

163163
#### How to run
164-
--------------------------------------------------------------------------------
164+
---------------
165165

166166
After loading a pdb file and setting up the molecular scene, type on a command line in PyMOL:
167167

@@ -187,7 +187,7 @@ Usage: `roundview [view, decimal places, outname]`
187187
Quick test with wildtype bacteriophage T4 lysozyme, 3fa0
188188
--------------------------------------------------------------------------------
189189

190-
Open up PyMOL. Copy the entire line below and paste onto the command line in the external gui (the on above the GL viewing port). This is an example of a horizontal script. By hitting the up arrow key, you can recall this command for editing on the command line. This code block is more agile to edit than opening, editing, saving, and loading an external script file.
190+
Start PyMOL. Copy and paste the entire line below onto the command line in the external gui (the on above the GL viewing port). This is an example of a horizontal script. By hitting the up arrow key, you can recall this command for editing on the command line. This code block is more agile to edit than opening, editing, saving, and loading an external script file.
191191

192192
```py
193193
fetch 3fa0,async=0;orient;turn z,-90;turn y,-5;turn x,10; hide everything; bg_color white; show cartoon;color red, ss H;color yellow, ss S;color green, ss L+'';roundview
@@ -209,13 +209,13 @@ To test some other argument values, copy and paste the following command into Py
209209
PyMOL>roundview 0,1,firstscene.txt
210210
```
211211

212-
Enter `ls *.txt` to list the files in the working diretory. The file "firstscene.txt" should be listed. The default filename is "roundedview.txt". The output from roundivew is added to the bottom of this file after each execution of the roundview command. Sometimes, you may find it easier to copy the set_view line from this text file than from the command history window in PyMOL.
212+
Do a `ls *.txt` to list the files in the working diretory. The file "firstscene.txt" should be listed. The default filename is "roundedview.txt". This file is appended with each execution of the roundview command. You may find it easier to copy the set_view line from this text file than from the command history window in PyMOL.
213213

214-
## Scripts that use aliases to horizontal scripts.
214+
## Scripts that use aliases to horizontal scripts. Some aliases contain compact scene settings from roundview().
215215

216216
### Exam2function.py
217217

218-
Defines the aliases q1-q8 for questions 1-8 from exam 2 of the OUHSC Macromolecular Systems course. Each alias is
218+
Defines aliases q1-q8 for questions 1-8 from exam 2 of the OUHSC Macromolecular Systems course. Each alias is
219219
is mapped to a number of commands.
220220

221221
Create ~/Scripts/PyMOLScripts and store the script in this subfolder.
@@ -226,17 +226,17 @@ Enter `ls *.txt` to list the files in the working diretory. The file "firstscene
226226
run ~/Scripts/PyMOLScripts/exam2function.py
227227
```
228228

229-
Now the aliases q1,q2, ..., q8 are active.
229+
Now the aliases `q1,q2, ..., q8` are active.
230230

231-
Type 'q1' to execute the alias assoicated with exam quesition 1.
231+
Type `q1` to execute the alias assoicated with exam quesitno 1.
232232

233-
Type 'help q1' to print the documentation to the PyMOL command history window.
233+
Type `help q1` to print the documentation to the PyMOL command history window.
234234
The bottom of the documentation includes the corresponding horizontal script.
235235
All or parts of the horizontal script can be copied from the command history
236236
window for reuse of the code in another horizontal script or a traditional
237237
vertical script.
238238

239-
Tested on PyMOL versions 1.5.0.5, 1.7.7.2 (from MacPorts), and 1.8.0.5.
239+
Tested on PyMOL versions 1.5.0.5, 1.7.7.2 (from macports), and 1.8.0.5.
240240

241241

242242
### StartupAliases.py
@@ -250,11 +250,11 @@ run ~/Scripts/PyMOLScripts/StartUpAliases.py
250250
```
251251
Now these aliases will be available whenever you startup PyMOL.
252252

253-
Type the 'alias <name>' to execute it.
253+
Type the `alias <name>` to execute it.
254254

255-
Type 'help alias <name>' to see the documentation, which includes a vertical list of the commands mapped to the alias to ease the copying of isolated commands from the command history window during code reuse. The corresponding horizontal script without line breaks is also printed. It can be selected in the command history window and pasted onto the command line.
255+
Type `help alias name` to see the documentation, which includes a vertical list of the commands mapped to the alias to ease the copying of isolated commands from the command history window during code reuse. The corresponding horizontal script without line breaks is also printed. It can be selected in the command history window and pasted onto the command line.
256256

257-
Format for the list of aliases below:
257+
Format of list below:
258258

259259
Alias name, description: PDB code, where applicable.
260260

@@ -282,35 +282,35 @@ Alias name, description: PDB code, where applicable.
282282
* **CB**, Define color blind compatible coloring scheme.
283283
* **BW**, Make black and white ribbon cartoon on white background.
284284
* **CSS**, Color ribbon and cartoons by secondary structure: red, green and yellow.
285-
* **CBSS**, Color ribbon and cartoons with colorblind-friendly colors.
286-
* **CR**, Commands to make colored filled-ring cartoons of nucleic acids.
287-
* **FR**, Commands to make filled-ring cartoons of nucleic acids.
285+
* **CBSS**, Color ribbon and cartoons with dcolorblind friendly colors.
286+
* **CR**, Commands to make colored filled-ring cartoon of nucleic acids..
287+
* **FR**, Commands to make filled-ring cartoon of nucleic acids.
288288

289289
#### Demo 1:
290290

291-
Type "T4L" on the command line. Now type "AO". You should get an image like the following:
291+
Type `T4L` on the command line. Now type "AO". You should get an image like the following:
292292

293293
<img src="https://cloud.githubusercontent.com/assets/15176203/13590209/9ad0758c-e4a3-11e5-995a-0ed5fb2cc88f.png" width="90%"></img>
294294

295295

296-
Type 'help AO' on the command line to see the documentation for the AO alias. It is mapped to 17 commands.
296+
Type `help AO` on the command line to see the documentation for the `AO` alias. It is mapped to 17 commands.
297297

298298
PyMOL>help AO
299299

300300
DESCRIPTION
301301

302-
Commands to make ambient occlusion image like those from the program Qutemole.
302+
Commands to make ambient occlusion image like those in Qutemole.
303303

304304

305305
USAGE
306306

307307
Type 'AO' to activate. Type 'help AO' to see this documentation
308308
printed to the command history window. Select from the command
309-
history window the individual lines of code to build a new script. Select the
309+
history individual lines of code to build a new script. Select the
310310
hortizontal script at the bottom if retaining most of the commands
311311
in your new script. Copy and paste onto the comand line below.
312312
Works only with the command line immediately under the command
313-
history window at the top of the PyMOL gui.
313+
history window at the top of the gui.
314314

315315
set_color oxygen, [1.0,0.4,0.4];
316316
set_color nitrogen, [0.5,0.5,1.0];
@@ -335,21 +335,21 @@ USAGE
335335

336336
#### Demo 2:
337337

338-
Type "T4L" on the command line. Now type "BW". You should get a black and white image like the following. These black and white
338+
Type `T4L` on the command line. Now type `BW`. You should get a black and white image like the following. These black and white
339339
figures are useful when color figures are not needed:
340340

341341
<img src="https://cloud.githubusercontent.com/assets/15176203/13590390/201de41c-e4a5-11e5-9835-7aced7982306.png" width="90%"></img>
342342

343343

344344
#### Demo 3:
345345

346-
Type "U8" on the command line. Convert this to black and white with "BW".
346+
Type `U8` on the command line. Convert this to black and white with `BW`.
347347

348348
<img src="https://cloud.githubusercontent.com/assets/15176203/13672122/089167a6-e699-11e5-89bd-19307f6e1181.png" width="90%"></img>
349349

350350
#### Demo 4:
351351

352-
Type 'help NA' to see a very long script mapped to a two-letter command.
352+
Type 'help NA' to see a very long script mapped to two a letter command.
353353

354354
DESCRIPTION
355355

@@ -370,7 +370,7 @@ Type 'help NA' to see a very long script mapped to a two-letter command.
370370

371371
USAGE
372372

373-
Type 'NA' to activate. Type 'help NA' to see this documentation
373+
Type 'NA' to activate. Type `help NA` to see this documentation
374374
printed to the command history window. Select from the command
375375
history individual lines of code to build a new script. Select the
376376
hortizontal script at the bottom if retaining most of the commands
@@ -438,7 +438,7 @@ Type 'help NA' to see a very long script mapped to a two-letter command.
438438
delete all;viewport 900,600;fetch 3nd4, type=pdb,async=0;run ~/Scripts/PyMOLScripts/quat.py;quat 3nd4; show sticks;set stick_radius=0.125;hide everything, name H*;bg_color white;create coorCov, (3nd4_1 and (resi 19 or resi 119 or resi 219 or resi 319 or resi 419 or resi 519 or (resi 3 and name N7)));bond (coorCov//A/NA`19/NA),(coorCov//A/A`3/N7); bond (coorCov//A/NA`19/NA),(coorCov//A/HOH`119/O); bond (coorCov//A/NA`19/NA),(coorCov//A/HOH`219/O); bond (coorCov//A/NA`19/NA),(coorCov//A/HOH`319/O); bond (coorCov//A/NA`19/NA),(coorCov//A/HOH`419/O); bond (coorCov//A/NA`19/NA),(coorCov//A/HOH`519/O);distance (3nd4_1 and chain Aand resi 19 and name NA), (3nd4_1 and chain A and resi 519);distance (3nd4_1 and chain A and resi 19 and name NA), (3nd4_1 and chain A and resi 419);distance (3nd4_1 and chain A and resi 19 and name NA), (3nd4_1 and chain A and resi 119);distance (3nd4_1 and chain A and resi 19 and name NA),(3nd4_1 and chain A and resi 319);distance (3nd4_1 and chain A and resi 19 and name NA), (3nd4_1 and chain A and resi 219);show nb_spheres; set nb_spheres_size, .35;distance hbond1,/3nd4_1/1/A/HOH`119/O, /3nd4_1/1/A/A`3/OP2;distance hbond2,/3nd4_1/1/A/HOH`319/O, /3nd4_1/1/A/A`3/OP2;distance hbond3,/3nd4_1/1/A/HOH`91/O, /3nd4_1/1/A/HOH`119/O;distance hbond4,/3nd4_1/1/A/G`4/N7,/3nd4_1/1/A/HOH`91/O;distance hbond5,/3nd4_1/1/A/G`4/O6, /3nd4_1/1/A/HOH`419/O;distance hbond6,/3nd4_1/1/A/HOH`91/O, /3nd4_1/1/A/G`4/OP2;distance hbond7,/3nd4_1/1/A/HOH`319/O, /3nd4_1/1/A/G`2/OP2;distance hbond9,/3nd4_1/1/A/HOH`419/O,/3nd4_2/2/A/HOH`74/O;distance hbond10,/3nd4_2/2/A/C`15/O2,/3nd4_1/1/A/G`2/N2;distance hbond11, /3nd4_2/2/A/C`15/N3,/3nd4_1/1/A/G`2/N1;distance hbond12,/3nd4_2/2/A/C`15/N4,/3nd4_1/1/A/G`2/O6;distance hbond13, /3nd4_2/2/A/U`14/N3,/3nd4_1/1/A/A`3/N1;distance hbond14,3nd4_2/2/A/U`14/O4,/3nd4_1/1/A/A`3/N6;distance hbond15, /3nd4_2/2/A/C`13/N4,/3nd4_1/1/A/G`4/O6;distance hbond16,/3nd4_2/2/A/C`13/N3, /3nd4_1/1/A/G`4/N1;distance hbond17, /3nd4_1/1/A/G`4/N2,/3nd4_2/2/A/C`13/O2;distance hbond18,/3nd4_1/1/A/G`2/N2,/3nd4_2/2/A/C`15/O2;distance hbond19,/3nd4_1/1/A/HOH`91/O,/3nd4_1/1/A/G`4/OP2;set depth_cue=0;set ray_trace_fog=0;set dash_color, black;set label_font_id, 5;set label_size, 36;set label_position, (0.5, 1.0, 2.0);set label_color, black;set dash_gap, 0.2;set dash_width, 2.0;set dash_length, 0.2;set label_color, black;set dash_gap, 0.2;set dash_width, 2.0;set dash_length, 0.2;select carbon, element C; color yellow, carbon;disable carbon;set_view (-0.9,0.34,-0.26,0.33,0.18,-0.93,-0.27,-0.92,-0.28,-0.07,-0.23,-27.83,8.63,19.85,13.2,16.0,31.63,-20.0);
439439

440440

441-
Type "NA" to get the image of a sodium cation bound with inner sphere coordination to the N7 nitrogen of an adenine and to five waters. The sodium is in the major groove of a double-stranded RNA molecule (PDB-ID 3nd4). The dashed lines represent hydrogen bonds. The numbers are distances in angstroms.
441+
Type "NA" to get the resulting image of a sodium cation bound with inner sphere coordination to the N7 nitrogen of an adenine and to five waters. The sodium is in the major groove of a double-strande RNA molecule (PDB-ID 3nd4). The dashed lines represent hydrogen bonds. The numbers are distances in angstroms.
442442

443443
![naadenine](https://cloud.githubusercontent.com/assets/15176203/13609887/853536a4-e520-11e5-9978-9ea1da4f0884.png)
444444

0 commit comments

Comments
 (0)