{#each vals as item, i}
(item.open = !item.open)} >
{item.chain}
{labels[item.class]}
{#if ["DNA", "RNA", "protein"].includes(item.class)} {#if item.msa}
MSA
{:else}
single sequence
{/if} {/if}
{#if !item.open && item.class === "ligand"} {#if item.name !== undefined} {item.name} {:else if item.sdf !== ""} SDF file {:else} {item.smiles} {/if} {/if}
{ dispatch("removeVal", i); }} >
{#if item.open}
{#if ["DNA", "RNA", "protein"].includes(item.class)}
{ if (e.key === "Enter") { if (e.target.value.length != 0) { dispatch("updateVals", { sequence: e.target.value, close: true, index: i, }); } else { alert("Sequence is empty"); } } }} >
Single sequence
Use MSA
Press Enter or
{ if (item.sequence.length != 0) { dispatch("updateVals", { sequence: item.sequence, close: true, index: i, }); } else { alert("Sequence is empty"); } }} class="hover:bg-gray-100 hover:text-gray-900 underline p-1 rounded" >click to add sequence.
{:else if item.class === "ligand"}
SMILES
{ if (e.key === "Enter") { if (e.target.value.length != 0) { dispatch("updateVals", { smiles: e.target.value, close: true, index: i, }); } else { alert("Sequence is empty"); } } }} >
Press Enter or
{ if (item.smiles != "") { dispatch("updateVals", { smiles: item.smiles, close: true, index: i, }); } else { alert("SMILES is empty"); } }} class="hover:bg-gray-100 hover:text-gray-900 underline p-1 rounded" >click to add SMILES.
- or -
{#if item.name === "" || item.name == undefined}
{:else}
Current ligand
CCD
{ dispatch("updateVals", { name: "", sdf: "", open: true, index: i, }); }} class="absolute top-0 end-0 p-2.5 text-sm font-medium h-full text-white bg-red-700 rounded-e-lg border border-red-700 hover:bg-red-800 focus:ring-4 focus:outline-none focus:ring-red-300" >
Delete
{/if}
- or -
SDF file
{ if (e.key === "Enter") { if (e.target.value != "") { dispatch("updateVals", { sdf: e.target.value, close: true, index: i, }); } else { alert("SDF is empty"); } } }} >
Press Enter or
{ if (item.sdf != "") { dispatch("updateVals", { sdf: item.sdf, close: true, index: i, }); } else { alert("SDF file is empty"); } }} class="hover:bg-gray-100 hover:text-gray-900 underline p-1 rounded" >click to add SDF file.
- or -
Metal ion
{#each metals as metal}
dispatch("updateVals", { name: metal, index: i })} >
{metal}
{/each}
{/if}
{/if} {#if !item.open} {#if ["DNA", "RNA", "protein"].includes(item.class)}
{#if item.sequence !== ""}
{/if}
{:else if item.class === "ligand"} {#if item.sdf !== ""}
{/if} {/if} {/if} {/each}
{#if covMods.length > 0}
Covalent Modification
{#each covMods as covMod, i}
Protein
Chain
Residue
Atom
Chirality
dispatch("updateCovMod", covMods)} > {#each proteinChains as chain}
{chain}
{/each}
dispatch("updateCovMod", covMods)} > {#each getResidues(covMod) as resi, i}
{i + 1} {resi}
{/each}
dispatch("updateCovMod", covMods)} > {#if covMod.residue != ""} {#each getResAtoms(covMod) as atom}}
{getResname(covMod)}:{atom}
{/each} {:else}
{/if}
dispatch("updateCovMod", covMods)} >
no chirality defined
CW
CCW
Small molecule
Chain
Atom index
Chirality
dispatch("updateCovMod", covMods)} > {#each ligandChains as chain}
{chain}
{/each}
{#if covMod.attachmentIndex}
index {covMod.attachmentIndex}
{:else}
click on atom
{/if}
dispatch("updateCovMod", covMods)} >
no chirality defined
CW
CCW
{ dispatch("removeCovMod", i); }} >
{/each} {/if}