feat: color

frontend/src/lib/venomeMolstarUtils.ts

@@ -132,17 +132,8 @@ export function pLDDTToAlphaFoldResidueColors(pLDDT: number[]): ResidueColor[] {
 }
 
 export function pLDDTToResidueColors(pLDDT: number[]): ResidueColor[] {
- const colors = pLDDT.map((d) => {
- if (d > 90) {
- return alphafoldColorscheme[0];
- } else if (d > 70) {
- return alphafoldColorscheme[1];
- } else if (d > 50) {
- return alphafoldColorscheme[2];
- } else {
- return alphafoldColorscheme[3];
- }
- });
+ const interpolate = d3.interpolateSpectral;
+ const colors = pLDDT.map((d) => interpolate(d / 100));
  return colors.map((c) => {
  const rgb = d3.color(c)!.rgb()!;
  return { r: rgb.r, g: rgb.g, b: rgb.b };

frontend/src/routes/Protein.svelte

@@ -13,22 +13,16 @@
  import References from "../lib/References.svelte";
  import {
  ChevronDownSolid,
- PaletteOutline,
  PenOutline,
- RefreshOutline,
  UndoOutline,
- UndoSolid,
  } from "flowbite-svelte-icons";
  import EntryCard from "../lib/EntryCard.svelte";
  import SimilarProteins from "../lib/SimilarProteins.svelte";
  import DelayedSpinner from "../lib/DelayedSpinner.svelte";
  import { user } from "../lib/stores/user";
  import { AccordionItem, Accordion } from "flowbite-svelte";
- import {
- pLDDTToAlphaFoldResidueColors,
- pLDDTToResidueColors,
- } from "../lib/venomeMolstarUtils";
- import type { ChainColors, ChainpLDDT } from "../lib/venomeMolstarUtils";
+ import { pLDDTToAlphaFoldResidueColors } from "../lib/venomeMolstarUtils";
+ import type { ChainColors } from "../lib/venomeMolstarUtils";
 
  const fileDownloadDropdown = ["pdb", "fasta"];
 
@@ -187,7 +181,9 @@
  pLDDTPerResidue,
  ] of Object.entries(pLDDTPerChain)) {
  chainColors[chainId] =
- pLDDTToResidueColors(pLDDTPerResidue);
+ pLDDTToAlphaFoldResidueColors(
+ pLDDTPerResidue
+ );
  }
  }}
  >