Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Implementacion de archivos 3D y 2D #4

Merged
merged 1 commit into from
Oct 29, 2024
Merged

Implementacion de archivos 3D y 2D #4

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
The table of contents is too big for display.
Diff view
Diff view
  •  
  •  
  •  
28 changes: 0 additions & 28 deletions assets/modelos3D/Carbono_3.pdb
View file
Open in desktop

This file was deleted.

Binary file removed assets/modelos3D/alcohol.glb
View file
Open in desktop
Binary file not shown.
28 changes: 0 additions & 28 deletions assets/modelos3D/alcohol.pdb
View file
Open in desktop

This file was deleted.

0 assets/modelos3D/alcohol.mol2 → assets/modelos3D/alcohol1.mol2
View file
Open in desktop
File renamed without changes.
Binary file added assets/modelos3D/alcohol1.png
View file
Open in desktop
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
21 changes: 21 additions & 0 deletions assets/modelos3D/alcohol2.mol2
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -0,0 +1,21 @@
@<TRIPOS>MOLECULE
*****
7 6 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 C -7.2750 0.0524 -0.0071 C.2 1 UNL11 -0.0645
2 C -6.1462 0.7602 -0.0590 C.2 1 UNL11 0.0738
3 H -7.2463 -1.0281 -0.1084 H 1 UNL11 0.0565
4 H -8.2446 0.5154 0.1348 H 1 UNL11 0.0565
5 O -6.0806 2.1183 0.0577 O.2 1 UNL11 -0.5149
6 H -5.1639 0.3251 -0.1997 H 1 UNL11 0.1014
7 H -6.9813 2.4645 0.1817 H 1 UNL11 0.2912
@<TRIPOS>BOND
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 5 7 1
Binary file added assets/modelos3D/alcohol2.png
View file
Open in desktop
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
48 changes: 48 additions & 0 deletions assets/modelos3D/alcohol3.mol2
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -0,0 +1,48 @@
@<TRIPOS>MOLECULE
*****
20 20 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 C -8.2433 -0.9224 0.2935 C.3 1 UNL11 -0.0056
2 C -7.1517 0.0721 0.0025 C.2 1 UNL11 -0.0713
3 C -7.2984 1.3938 0.1767 C.2 1 UNL11 -0.0991
4 C -5.8968 -0.6595 -0.4041 C.3 1 UNL11 -0.0206
5 C -4.5771 0.0328 -0.0764 C.3 1 UNL11 -0.0586
6 H -3.7307 -0.6328 -0.2761 H 1 UNL11 0.0235
7 H -4.5295 0.3267 0.9787 H 1 UNL11 0.0235
8 H -4.4424 0.9345 -0.6827 H 1 UNL11 0.0235
9 C -7.5276 -2.2687 0.4396 C.3 1 UNL1 0.0594
10 H -8.9675 -0.9434 -0.5287 H 1 UNL1 0.0335
11 H -8.7645 -0.6628 1.2209 H 1 UNL1 0.0335
12 C -6.0300 -1.9853 0.3505 C.3 1 UNL1 -0.0203
13 H -5.9438 -0.8539 -1.4836 H 1 UNL1 0.0344
14 H -5.4859 -2.7828 -0.1687 H 1 UNL1 0.0296
15 H -5.6126 -1.8931 1.3607 H 1 UNL1 0.0296
16 H -8.2439 1.8152 0.5044 H 1 UNL1 0.0534
17 H -6.4890 2.0914 -0.0103 H 1 UNL1 0.0534
18 O -7.9057 -3.1595 -0.6057 O.3 1 UNL1 -0.3915
19 H -7.7710 -2.7540 1.3911 H 1 UNL1 0.0596
20 H -8.8489 -3.3631 -0.4796 H 1 UNL1 0.2098
@<TRIPOS>BOND
1 1 2 1
2 2 3 2
3 2 4 1
4 4 5 1
5 5 6 1
6 5 7 1
7 5 8 1
8 1 9 1
9 1 10 1
10 1 11 1
11 9 12 1
12 4 12 1
13 4 13 1
14 12 14 1
15 12 15 1
16 3 16 1
17 3 17 1
18 9 18 1
19 9 19 1
20 18 20 1
Binary file added assets/modelos3D/alcohol3.png
View file
Open in desktop
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file removed assets/modelos3D/aldehido.glb
View file
Open in desktop
Binary file not shown.
45 changes: 0 additions & 45 deletions assets/modelos3D/aldehido.mol2
View file
Open in desktop

This file was deleted.

36 changes: 0 additions & 36 deletions assets/modelos3D/aldehido.pdb
View file
Open in desktop

This file was deleted.

45 changes: 45 additions & 0 deletions assets/modelos3D/aldehido1.mol2
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -0,0 +1,45 @@
@<TRIPOS>MOLECULE
*****
19 18 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 C -5.5339 0.9871 0.3196 C.3 1 UNL11 0.0030
2 C -4.1337 1.4677 -0.0490 C.3 1 UNL11 -0.0443
3 C -3.0082 0.4725 -0.3975 C.3 1 UNL11 -0.0463
4 C -1.6516 1.1615 -0.1651 C.3 1 UNL11 -0.0627
5 C -3.0064 -0.8608 0.3470 C.3 1 UNL11 -0.0627
6 H -3.9659 -1.3767 0.3024 H 1 UNL11 0.0232
7 H -2.7389 -0.7396 1.4007 H 1 UNL11 0.0232
8 H -2.2660 -1.5309 -0.1087 H 1 UNL11 0.0232
9 H -1.6643 2.2035 -0.5020 H 1 UNL11 0.0232
10 H -0.8516 0.6424 -0.7022 H 1 UNL11 0.0232
11 H -1.3913 1.1632 0.9008 H 1 UNL11 0.0232
12 C -6.2477 0.0481 -0.6209 C.2 1 UNL11 0.1203
13 H -6.1689 1.8839 0.3574 H 1 UNL11 0.0339
14 H -5.5553 0.5546 1.3245 H 1 UNL11 0.0339
15 H -3.7988 2.1023 0.7827 H 1 UNL11 0.0272
16 H -4.2290 2.1486 -0.9073 H 1 UNL11 0.0272
17 H -3.0912 0.2552 -1.4707 H 1 UNL11 0.0296
18 O -5.7151 -0.8426 -1.2792 O.2 1 UNL11 -0.3010
19 H -7.3473 0.1434 -0.6192 H 1 UNL11 0.1026
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 1
5 5 6 1
6 5 7 1
7 5 8 1
8 4 9 1
9 4 10 1
10 4 11 1
11 1 12 1
12 1 13 1
13 1 14 1
14 2 15 1
15 2 16 1
16 3 17 1
17 12 18 2
18 12 19 1
Binary file added assets/modelos3D/aldehido1.png
View file
Open in desktop
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
45 changes: 45 additions & 0 deletions assets/modelos3D/aldehido2.mol2
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -0,0 +1,45 @@
@<TRIPOS>MOLECULE
*****
19 18 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 C -3.7499 1.7285 -0.0649 C.3 1 UNL1 -0.0620
2 C -2.2693 1.6193 0.3196 C.3 1 UNL1 -0.0377
3 C -1.7532 0.2392 -0.1300 C.3 1 UNL1 0.0053
4 H -4.3237 0.8989 0.3625 H 1 UNL1 0.0233
5 H -3.8773 1.7023 -1.1526 H 1 UNL1 0.0233
6 H -4.1988 2.6530 0.3106 H 1 UNL1 0.0233
7 C -0.3106 -0.0283 0.2205 C.2 1 UNL1 0.1206
8 H -1.8512 0.1301 -1.2159 H 1 UNL1 0.0341
9 H -2.3564 -0.5476 0.3400 H 1 UNL1 0.0341
10 C -1.4235 2.7704 -0.2659 C.3 1 UNL1 -0.0529
11 H -2.2005 1.6770 1.4142 H 1 UNL1 0.0302
12 C -2.0156 4.1601 -0.0762 C.3 1 UNL1 -0.0650
13 H -1.2476 2.6044 -1.3353 H 1 UNL1 0.0265
14 H -0.4410 2.7670 0.2211 H 1 UNL1 0.0265
15 H -2.8750 4.3158 -0.7358 H 1 UNL1 0.0230
16 H -1.2701 4.9221 -0.3266 H 1 UNL1 0.0230
17 H -2.3319 4.3221 0.9587 H 1 UNL1 0.0230
18 O 0.0758 -1.0862 0.7102 O.2 1 UNL1 -0.3010
19 H 0.4197 0.7392 -0.0824 H 1 UNL1 0.1026
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 1 4 1
4 1 5 1
5 1 6 1
6 3 7 1
7 3 8 1
8 3 9 1
9 2 10 1
10 2 11 1
11 10 12 1
12 10 13 1
13 10 14 1
14 12 15 1
15 12 16 1
16 12 17 1
17 7 18 2
18 7 19 1
Binary file added assets/modelos3D/aldehido2.png
View file
Open in desktop
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
39 changes: 39 additions & 0 deletions assets/modelos3D/aldehido3.mol2
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -0,0 +1,39 @@
@<TRIPOS>MOLECULE
*****
16 15 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 C -1.9100 1.1462 0.8085 C.3 1 UNL1 -0.0536
2 C -0.5876 1.2799 0.0382 C.3 1 UNL1 0.0176
3 H -2.3112 2.1204 1.1105 H 1 UNL1 0.0239
4 H -1.8173 0.5253 1.7022 H 1 UNL1 0.0239
5 H -2.6779 0.6976 0.1615 H 1 UNL1 0.0239
6 C -0.6432 2.6079 -0.7303 C.3 1 UNL1 -0.0536
7 H -1.5231 2.6844 -1.3755 H 1 UNL1 0.0239
8 H 0.2548 2.7968 -1.3262 H 1 UNL1 0.0239
9 H -0.7088 3.4359 -0.0058 H 1 UNL1 0.0239
10 C -0.4281 -0.0028 -0.7938 C.3 1 UNL1 -0.0536
11 H -1.2708 -0.1770 -1.4695 H 1 UNL1 0.0239
12 H -0.3875 -0.8687 -0.1135 H 1 UNL1 0.0239
13 H 0.5015 -0.0215 -1.3706 H 1 UNL1 0.0239
14 C 0.6613 1.3061 0.9228 C.2 1 UNL1 0.1256
15 O 1.5157 2.1820 0.8914 O.2 1 UNL1 -0.3005
16 H 0.8230 0.4114 1.5504 H 1 UNL1 0.1032
@<TRIPOS>BOND
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 6 7 1
7 6 8 1
8 6 9 1
9 2 10 1
10 10 11 1
11 10 12 1
12 10 13 1
13 2 14 1
14 14 15 2
15 14 16 1
Binary file added assets/modelos3D/aldehido3.png
View file
Open in desktop
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file removed assets/modelos3D/cetona.glb
View file
Open in desktop
Binary file not shown.
45 changes: 0 additions & 45 deletions assets/modelos3D/cetona.mol2
View file
Open in desktop

This file was deleted.

Loading