You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Copy file name to clipboardExpand all lines: README.md
+24-24Lines changed: 24 additions & 24 deletions
Display the source diff
Display the rich diff
Original file line number
Diff line number
Diff line change
@@ -49,7 +49,7 @@ Paste the above reformated [`set_view()`](http://pymolwiki.org/index.php/Set_Vie
49
49
50
50
###What is the roundview() function?
51
51
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:
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:
53
53
54
54
***cntrl-a** moves cursor to the beginning of the line
55
55
***cntrl-e** moves cursor to the end of the line
@@ -78,12 +78,12 @@ Watch this 1 minute video or read on.
78
78
[](http://www.youtube.com/watch?v=GnRtEhGvPBQ)
79
79
80
80
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.
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.
82
82
83
83
```shell
84
84
ls *.py
85
85
```
86
-
Paste the following horizontal script on the command line just below the command history window in the top or external gui:
86
+
Paste the following horizontal script on the command line in PyMOL just below the command history window in the top or external gui:
87
87
```shell
88
88
fetch 1lw9, async=0; run roundview.py; roundview 0,1
89
89
```
@@ -92,12 +92,12 @@ You should see the following in the command history window of the top gui:
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).
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).
111
111
112
112
113
113
There are at least four different ways of loading the script into PyMOL:
114
114
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
Open up 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.
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.
191
191
192
192
```py
193
193
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
209
209
PyMOL>roundview 0,1,firstscene.txt
210
210
```
211
211
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.
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.
213
213
214
-
## Scripts that use aliases to horizontal scripts. Some aliases contain compact scene settings from roundview().
214
+
## Scripts that use aliases to horizontal scripts.
215
215
216
216
### Exam2function.py
217
217
218
-
Defines aliases q1-q8 for questions 1-8 from exam 2 of the OUHSC Macromolecular Systems course. Each alias is
218
+
Defines the aliases q1-q8 for questions 1-8 from exam 2 of the OUHSC Macromolecular Systems course. Each alias is
219
219
is mapped to a number of commands.
220
220
221
221
Create ~/Scripts/PyMOLScripts and store the script in this subfolder.
@@ -228,15 +228,15 @@ run ~/Scripts/PyMOLScripts/exam2function.py
228
228
229
229
Now the aliases q1,q2, ..., q8 are active.
230
230
231
-
Type 'q1' to execute the alias assoicated with exam quesitno 1.
231
+
Type 'q1' to execute the alias assoicated with exam quesition 1.
232
232
233
233
Type 'help q1' to print the documentation to the PyMOL command history window.
234
234
The bottom of the documentation includes the corresponding horizontal script.
235
235
All or parts of the horizontal script can be copied from the command history
236
236
window for reuse of the code in another horizontal script or a traditional
237
237
vertical script.
238
238
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.
240
240
241
241
242
242
### StartupAliases.py
@@ -250,11 +250,11 @@ run ~/Scripts/PyMOLScripts/StartUpAliases.py
250
250
```
251
251
Now these aliases will be available whenever you startup PyMOL.
252
252
253
-
Type the 'alias name' to execute it.
253
+
Type the 'alias <name>' to execute it.
254
254
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.
256
256
257
-
Format of list below:
257
+
Format for the list of aliases below:
258
258
259
259
Alias name, description: PDB code, where applicable.
260
260
@@ -282,9 +282,9 @@ Alias name, description: PDB code, where applicable.
282
282
***CB**, Define color blind compatible coloring scheme.
283
283
***BW**, Make black and white ribbon cartoon on white background.
284
284
***CSS**, Color ribbon and cartoons by secondary structure: red, green and yellow.
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.
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.
288
288
289
289
#### Demo 1:
290
290
@@ -299,18 +299,18 @@ PyMOL>help AO
299
299
300
300
DESCRIPTION
301
301
302
-
Commands to make ambient occlusion image like those in Qutemole.
302
+
Commands to make ambient occlusion image like those from the program Qutemole.
303
303
304
304
305
305
USAGE
306
306
307
307
Type 'AO' to activate. Type 'help AO' to see this documentation
308
308
printed to the command history window. Select from the command
309
-
history individual lines of code to build a new script. Select the
309
+
history window the individual lines of code to build a new script. Select the
310
310
hortizontal script at the bottom if retaining most of the commands
311
311
in your new script. Copy and paste onto the comand line below.
312
312
Works only with the command line immediately under the command
313
-
history window at the top of the gui.
313
+
history window at the top of the PyMOL gui.
314
314
315
315
set_color oxygen, [1.0,0.4,0.4];
316
316
set_color nitrogen, [0.5,0.5,1.0];
@@ -349,7 +349,7 @@ Type "U8" on the command line. Convert this to black and white with "BW".
349
349
350
350
#### Demo 4:
351
351
352
-
Type 'help NA' to see a very long script mapped to two a letter command.
352
+
Type 'help NA' to see a very long script mapped to a two-letter command.
353
353
354
354
DESCRIPTION
355
355
@@ -438,7 +438,7 @@ Type 'help NA' to see a very long script mapped to two a letter command.
438
438
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);
439
439
440
440
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.
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.
0 commit comments