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Author SHA1 Message Date
David Koes
4449e44637 edit 2024-03-14 09:13:10 -07:00
David Koes
557031cec0 edit 2024-03-14 08:40:27 -07:00
David Koes
ecdd329ef1 edits 2024-03-14 08:33:23 -07:00
David Koes
f4a00f8414 talk 2024-03-13 23:44:31 -07:00
David Koes
14ebf43a32 Better handling of lost contexts. 
Should have fewer warning messages in the console now, can properly
clear gl color.
 2024-03-13 23:13:37 -07:00
David Koes
dbf2efd524 Various improvements 
py3dmol.view takes format argument
can pass selection for volumetricrender/isosurfaces
gradient documentation
onesided surface option
custom linear builtin
 2024-03-13 21:20:25 -07:00
Prajwal Kulkarni
a033f279d3 Format code 2024-03-13 22:47:34 +05:30
Prajwal Kulkarni
03f0ae47a9 Assign empty object to cryst 2024-03-13 22:32:20 +05:30
David Koes
cf59124521 Change width/height calc. Trim prmtop atom names. 
Previous calculation did not account for applied scaling
transformations.  Now remove whitespace from prmtop atom names.
 2024-03-13 09:49:54 -07:00
Prajwal Kulkarni
6673209ced Refactor CIF.ts & CUBE.ts 2024-03-13 21:51:22 +05:30
David Koes
0a69191ab0 Merge pull request #778 from 3dmol/dkoes-patch-1 
Update README.md
 2024-03-12 20:57:55 -05:00
David Koes
93a6083c4d Update README.md 2024-03-12 20:56:24 -05:00
David Koes
8c7eb4b045 resize 2024-03-12 20:53:18 -05:00
David Koes
5e642f1aba resize 2024-03-12 20:49:32 -05:00
David Koes
c9eaf104a9 Merge branch 'master' of github.com:3dmol/3Dmol.js 2024-03-12 20:45:49 -05:00
David Koes
49cf49fbd6 update readme 2024-03-12 20:45:12 -05:00
David Koes
8549c59c62 bump py3dmol 2024-03-12 08:28:10 -04:00
David Koes
843f8d9510 Version bump 2.1.0 2024-03-11 18:14:26 -04:00
David Koes
1d5de215ee Add option to avoid bonding cations. Issue #776 
pymol has a similar option.
 2024-03-11 17:50:54 -04:00
David Koes
5e70a637ad more robustness to lost contexts 2024-03-11 14:30:17 -04:00
David Koes
747574098c more robust handling of lost contexts 2024-03-11 12:04:06 -04:00
David Koes
d7014a7e6c correct ref img 2024-03-11 10:38:38 -04:00
David Koes
6bbb17fe31 ref img 2024-03-10 11:49:53 -04:00
David Koes
62c6d1dd61 Issue #770 
When wrapAtoms is set, also wrap the reference coordinates.  Change bond
connection behavior to only happen after wrapping if atoms are
duplicated and dontconnect isn't set.
 2024-03-10 09:38:43 -04:00
David Koes
756b3b0694 ref img 2024-03-09 17:12:38 -05:00
David Koes
37bd71bc03 Add wrapAtoms option to address Issue #770 2024-03-09 17:10:07 -05:00
David Koes
a2bc383ecb Use assignPDBbonds in CIF 2024-03-08 09:30:44 -05:00
David Koes
a536810dc7 ref image 2024-03-06 14:51:52 -05:00
David Koes
fb5f6365aa Still wrestling with biopython cif files. Issue #772 2024-03-06 14:43:03 -05:00
David Koes
91b05f7f93 reference image 2024-03-06 11:12:21 -05:00
David Koes
2e67bf6af7 Fix fix. 
In which an importante life lesson of not pushing commits until after
running tests is reinforced along with not letting laziness prevent
defensive programming.
 2024-03-06 10:14:37 -05:00
David Koes
32f309977c Fix Issue #772 
Fallback on "label" fields in a CIF if "auth" field isn't available.
 2024-03-06 08:48:25 -05:00
David Koes
ad419da3ba standard size 2024-02-28 13:53:58 -05:00
David Koes
8885c64c97 Merge pull request #769 from prajwalkulkarni/meta-tags 
Add og meta tags and icon
 2024-02-28 13:42:57 -05:00
David Koes
4d7c34616d var -> let 2024-02-28 10:53:58 -05:00
David Koes
a64b4ecf8e Merge branch 'master' of github.com:3dmol/3Dmol.js 2024-02-27 21:51:35 -05:00
David Koes
11bb7c68c0 Better VRML of wireframes 2024-02-27 21:51:18 -05:00
David Koes
26a69d152f Fix for Issue #767 
The problem wasn't actually in getCross but the code before.
 2024-02-27 11:41:27 -05:00
Prajwal Kulkarni
062f053408 Add og meta tags and icon 2024-02-17 23:00:59 +05:30
David Koes
afce01857b rm ext inst 2024-02-06 11:31:36 -05:00
Prajwal Kulkarni
e633873f25 Improvements to learning-environments.md 2024-01-30 21:07:23 +05:30
David Koes
dec52bcb76 Fix issue #764 
Options were not being set correctly for any of the multimodel addModel
variants.  They are now.
 2024-01-29 12:02:58 -05:00
David Koes
aff556b03e Implement replicate pruning to address Issue #759 
Can replicate the unit cell and only keep atoms that remain within it
(so on the boundaries).  replicateUnitCell(1) for short.
 2024-01-27 12:23:44 -05:00
David Koes
6f0a345f3b Merge pull request #761 from prajwalkulkarni/refactor-ts-files 
Refactor remaining files in parser/utils
 2024-01-26 08:15:39 -05:00
Prajwal Kulkarni
ca7ecbdd0e Assign initial value to grid and modelData 2024-01-26 17:29:49 +05:30
Prajwal Kulkarni
7f98d2e255 Refactor remaining files in parser/utils 2024-01-26 17:02:26 +05:30
David Koes
8c3e9d4212 Merge pull request #756 from prajwalkulkarni/refactor-ts-files-parser-utils 
Refactor ts files parser utils
 2024-01-25 21:43:19 -05:00
Prajwal Kulkarni
57eb0a852e Fix typo 2024-01-23 23:11:12 +05:30
Prajwal Kulkarni
b663ace302 Compare directly against undefined primitive 2024-01-23 23:02:32 +05:30
Prajwal Kulkarni
72a2891107 Resolve review comments 2024-01-23 20:44:39 +05:30