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Partial atomic charges extension (#808)
* feat: partial charges extension * chore: pullrequest actions * feat: example * fix: review changes * fix: updated example structure categories * fix(changelog): shorter description * fix: code review changes * fix: cosmetic changes
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- CHANGELOG.md 2 additions, 0 deletionsCHANGELOG.md
- examples/7qpd.fw2.cif 75130 additions, 0 deletionsexamples/7qpd.fw2.cif
- package.json 2 additions, 1 deletionpackage.json
- src/apps/viewer/app.ts 4 additions, 0 deletionssrc/apps/viewer/app.ts
- src/extensions/sb-ncbr/README.md 30 additions, 0 deletionssrc/extensions/sb-ncbr/README.md
- src/extensions/sb-ncbr/index.ts 3 additions, 0 deletionssrc/extensions/sb-ncbr/index.ts
- src/extensions/sb-ncbr/partial-charges/behavior.ts 38 additions, 0 deletionssrc/extensions/sb-ncbr/partial-charges/behavior.ts
- src/extensions/sb-ncbr/partial-charges/color.ts 150 additions, 0 deletionssrc/extensions/sb-ncbr/partial-charges/color.ts
- src/extensions/sb-ncbr/partial-charges/labels.ts 39 additions, 0 deletionssrc/extensions/sb-ncbr/partial-charges/labels.ts
- src/extensions/sb-ncbr/partial-charges/preset.ts 32 additions, 0 deletionssrc/extensions/sb-ncbr/partial-charges/preset.ts
- src/extensions/sb-ncbr/partial-charges/property.ts 188 additions, 0 deletionssrc/extensions/sb-ncbr/partial-charges/property.ts
examples/7qpd.fw2.cif
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... | @@ -97,7 +97,8 @@ | ... | @@ -97,7 +97,8 @@ |
"Jason Pattle <jpattle@exscientia.co.uk>", | "Jason Pattle <jpattle@exscientia.co.uk>", | ||
"David Williams <dwilliams@nobiastx.com>", | "David Williams <dwilliams@nobiastx.com>", | ||
"Zhenyu Zhang <jump2cn@gmail.com>", | "Zhenyu Zhang <jump2cn@gmail.com>", | ||
"Russell Parker <russell@benchling.com>" | "Russell Parker <russell@benchling.com>", | ||
"Dominik Tichy <tichydominik451@gmail.com>" | |||
], | ], | ||
"license": "MIT", | "license": "MIT", | ||
"devDependencies": { | "devDependencies": { | ||
... | ... |
src/extensions/sb-ncbr/README.md
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src/extensions/sb-ncbr/index.ts
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