Ticket #20547: bug.cxc

File bug.cxc, 8.3 KB (added by Eric Pettersen, 2 weeks ago)

This script reproduces the problem. It needs trimming.

Line 
1help help:quickstart
2lighting simple
3lighting soft
4lighting simple
5set bgColor white
6set bgColor black
7help help:quickstart
8show cartoons
9style stick
10style stick
11style sphere
12style ball
13color bychain
14color bypolymer
15nucleotides atoms
16style nucleic stick
17ui mousemode right select
18ui mousemode right rotate
19open 8w6e fromDatabase pdb format mmcif
20hide bonds
21undo
22hide /A
23undo
24hide /a
25hide /b
26hide /c
27hide /d
28select ~sel & ##selected
29show /a
30hide /a cartoons
31select ~sel & ##selected
32show /b
33show /c
34select ~sel & ##selected
35select ~sel & ##selected
36select ~sel & ##selected
37hide /a cartoons
38hide /b cartoons
39hide /b
40show /c
41show /d
42show /e
43color bychain
44ui mousemode right select
45select /A:201@H071
46select clear
47ui mousemode right "rotate slab"
48ui mousemode right "move planes"
49ui mousemode right "rotate slab"
50ui mousemode right "move planes"
51#ui mousemode right "color key"
52key delete
53ui mousemode right "translate selected models"
54preset "initial styles" cartoon
55hide /a cartoons
56select ~sel & ##selected
57hide /a
58hide target m
59undo
60save ~/rm/image1.png supersample 3
61save ~/rm/image1.png supersample 3
62ui tool show "Build Structure"
63save ~/rm/image2.png supersample 3
64ui tool show "Model Loops"
65save ~/rm/image3.png supersample 3
66ui windowfill toggle
67select ~sel & ##selected
68select ~sel & ##selected
69view #1.1 clip false
70sequence chain /A
71select clear
72ui mousemode right select
73select clear
74select /B:40
75select clear
76select /B:36
77select /B:36
78select /B:36
79sequence chain /B
80select /B:36
81select /B:36
82select /B:36
83select /B:35
84select clear
85select /B:36
86select /B:40
87select clear
88select /B:0
89select /B:0-163
90ui tool show "Model Loops"
91modeller refine 1/B:1:all-missing numModels 1 fast false adjacentFlexible 1 protocol standard
92select clear
93ui mousemode right rotate
94ui mousemode right select
95select clear
96undo
97hide #!3 models
98show #!3 models
99hide #!3 models
100show #!3 models
101hide #!3 models
102show #!3 models
103hide #!3 models
104hide #3.1 models
105show #3.1 models
106hide #3.1 models
107show #3.1 models
108hide #3.1 models
109show #3.1 models
110hide #3.1 models
111show #3.1 models
112hide #3.1 models
113ui tool show "Model Loops"
114select add #3
115close #3
116ui tool show "Model Loops"
117select /B:36
118select /B:36
119select clear
120select /B:40
121ui tool show "Model Loops"
122select /B:37-39
123select /B:37-40
124select clear
125select /B:37-39
126ui tool show "Model Loops"
127select /B:36
128select /B:40
129ui tool show "Model Loops"
130select /B:40
131select clear
132sequence chain /A
133select /A:0-1
134select /A:0-1
135select /A:1-36,41-79,82-118,125-161
136select clear
137select /A:124
138select /A:162
139select /A:162-163
140select /A:119
141select /A:119-121
142select /A:0
143select /A:0-163
144select /A:42
145select /A:42-77
146select /A:36
147select /A:36-41
148ui tool show "Model Loops"
149modeller refine 1/A:1:internal-missing numModels 1 fast false adjacentFlexible 1 protocol standard
150select #1/B:140
151undo
152select #2.1/A:56
153close #2
154sequence chain /B
155ui tool show "Model Loops"
156select /B:5
157select /B:5-47
158modeller refine 1/B:1:internal-missing numModels 1 fast false adjacentFlexible 1 protocol standard
159select /B:5-47
160select clear
161rename #2 8w6e
162close #1
163rename #2 id #1
164preset "initial styles" cartoon
165open 8w6e fromDatabase pdb format mmcif
166select clear
167select clear
168ui mousemode right rotate
169delete all
170open 8w6e fromDatabase pdb format mmcif
171ui mousemode right select
172select /B:82
173select clear
174select /B:24
175select clear
176ui mousemode right select
177select ::name="ALA"::name="ARG"::name="ASP"::name="GLU"::name="GLY"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL"
178hide sel surfaces
179hide sel cartoons
180hide sel atoms
181delete /a
182show sel surfaces
183hide sel surfaces
184show sel cartoons
185show sel atoms
186hide sel atoms
187select clear
188delete all
189open 8w6e fromDatabase pdb format mmcif
190delete /b
191select clear
192save ~/rm/image4.png supersample 3
193save ~/rm/image1.png supersample 3
194select clear
195close #1
196ui tool show "Model Loops"
197sequence chain /a
198ui tool show "Model Loops"
199modeller refine 2/A:1:internal-missing numModels 1 fast false adjacentFlexible 1 protocol standard
200select clear
201select clear
202ui tool show "Model Loops"
203close #2
204save "C:\Users\moham\Downloads\Chimera Testing Grounds\image1.png" supersample 3
205open 8w6e fromDatabase pdb format mmcif
206delete /b
207close #1
208save ~/rm/image2.png supersample 3
209select ::name="KY6"
210color red
211select clear
212select ~sel & ##selected
213select ~sel & ##selected
214select ~sel & ##selected
215select ~sel & ##selected
216color sel red
217select ::name="KY6"
218color sel red
219select clear
220select ::name="KY6"
221color sel byatom
222select ::name="ALA"::name="ARG"::name="ASP"::name="GLU"::name="GLY"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL"
223color sel red
224color sel white
225preset "initial styles" cartoon
226preset "initial styles" cartoon
227preset "initial styles" sticks
228preset "initial styles" cartoon
229preset "initial styles" "original look"
230preset "initial styles" "space-filling (chain colors)"
231preset "initial styles" cartoon
232select clear
233select ::name="KY6"
234color sel byelement
235select clear
236select ::name="ALA"::name="ARG"::name="ASP"::name="GLU"::name="GLY"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL"
237color (#!2 & sel) magenta
238color (#!2 & sel) medium blue
239color (#!2 & sel) cyan
240color (#!2 & sel) yellow
241select clear
242save ~/rm/image3.png supersample 3
243surface
244save ~/rm/image3.png supersample 3
245hide target a
246surface hidePatches
247hide #2.2 models
248show #2.2 models
249hide #!2.1 models
250show #!2.1 models
251hide #!2 models
252show #!2 models
253select ::name="KY6"
254select ::name="KY6"
255show sel cartoons
256show sel atoms
257color sel bynucleotide
258color sel byhetero
259color sel bychain
260color sel bypolymer
261rainbow sel
262coulombic sel
263color sel bynucleotide
264color sel byhetero
265rainbow sel
266coulombic sel
267coulombic sel
268color sel bychain
269hide sel surfaces
270color sel bynucleotide
271color sel byhetero
272select ~sel & ##selected
273select ~sel & ##selected
274color sel byatom
275show sel surfaces
276hide sel surfaces
277select /A:25
278select /A:25
279select clear
280select ::name="ALA"::name="ARG"::name="ASP"::name="GLU"::name="GLY"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL"
281show sel surfaces
282hide sel surfaces
283show sel surfaces
284hide sel surfaces
285show sel surfaces
286hide sel surfaces
287select ::name="KY6"
288select clear
289ui mousemode right select
290split
291select ::name="KY6"
292split
293split
294select clear
295split #2
296select ::name="KY6"
297split #2 atoms sel
298hide #2.1 models
299show #2.1 models
300hide #!2.2 models
301show #!2.2 models
302select clear
303hide #2.1 models
304show #2.1 models
305hide #2.1 models
306show #2.1 models
307hide #2.2.1 models
308show #2.2.1 models
309hide #!2.2 models
310show #!2.2 models
311rename #2.1 ligand
312rename #2.2 protein
313select clear
314show surfaces
315select clear
316ui mousemode right clip
317ui mousemode right "clip rotate"
318ui mousemode right zone
319ui mousemode right rotate
320ui mousemode right "clip rotate"
321ui mousemode right clip
322ui mousemode right "clip rotate"
323ui mousemode right clip
324save ~/rm/image4.png supersample 3
325save ~/rm/image5.png supersample 3
326select add #2.1
327hide sel surfaces
328select add #2.2
329select subtract #2.1
330select subtract #2.2
331select add #2.2
332hide sel surfaces
333ui tool show H-Bonds
334ui tool show H-Bonds
335hbonds reveal true
336show sel cartoons
337hide sel atoms
338show sel atoms
339hide sel atoms
340show sel surfaces
341ui mousemode right clip
342ui mousemode right select
343select clear
344clip model #2.2 true
345select clear
346ui mousemode right clip
347clip model #2.2 true
348clip model #2.2
349select ~sel & ##selected
350select ~sel & ##selected
351clip model #2
352clip model #2.1 false
353ui mousemode right clip
354ui mousemode right select
355ui mousemode right clip
356ui mousemode right select
357ui mousemode right clip
358clip
359ui mousemode right "clip rotate"
360ui mousemode right clip
361ui mousemode right "clip rotate"
362ui mousemode right clip
363ui mousemode right "clip rotate"
364ui mousemode right clip
365ui mousemode right translate
366ui mousemode right zoom
367ui mousemode right translate
368ui mousemode right select
369select clear
370select add #2.1
371ui mousemode right zoom
372view sel
373ui mousemode right "clip rotate"
374ui mousemode right translate
375color #2.2 #140cffff
376color #2.2 #ff2aadff
377select clear
378set bgColor white
379set bgColor #ffffff00
380set bgColor black
381set bgColor transparent
382lighting soft
383lighting full
384lighting simple
385lighting full
386lighting soft
387lighting simple
388lighting soft
389lighting full
390save ~/rm/image6.png supersample 3
391lighting simple
392save ~/rm/wFAP.cxs