GLYCAM-Web / website

A bare-bones repo to contain public website stuff and issues related to the GLYCAM Web Django apps.
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SNFG icon does not show up in online LiteMol display #37

Closed Lachele closed 4 months ago

Lachele commented 3 years ago

Tool: test.glycam.org/cb also txt, etc. Also DevEnv

Bug Description: The SNFG icon for Psicose (and possibly others) does not show up in the online LiteMol display.

To Reproduce:

Enter DPsipa2-OH at test.glycam.org/txt and see display on next page.

Expected behavior SNFG icon should display.

Screenshots

image

gitoliver commented 3 years ago

This is a bug in LiteMol here: https://github.com/dsehnal/LiteMol/blob/master/src/Viewer/Extensions/ComplexRepresentation/Carbohydrates/Mapping.ts#L419 See bottom of comment for paste of that section. There are no names listed for Psi. DPsip is not present in the PDB (according to Glyfinder), so perhaps that triggered this not getting filled out for Glycam. The fix is to replace L419 with this: glycam: { colorA: '#f69ea1', names: ['0PA', '0PB', '1PA', '1PB', '2PA', '2PB', '3PA', '3PB', '4PA', '4PB', '5PA', '5PB', 'WPA', 'WPB', '0PD', '0PU', '1PD', '1PU', '2PD', '2PU', '3PD', '3PU', '4PD', '4PU', '6PD', '6PU', 'WPD', 'WPU', 'VPD', 'VPU', 'UPD', 'UPU', 'QPD', 'QPU', '0pA', '0pB', '1pA', '1pB', '2pA', '2pB', '3pA', '3pB', '4pA', '4pB', '5pA', '5pB', 'WpA', 'WpB', '0pD', '0pU', '1pD', '1pU', '2pD', '2pU', '3pD', '3pU', '4pD', '4pU', '6pD', '6pU', 'WpD', 'WpU', 'VpD', 'VpU', 'UpD', 'UpU', 'QpD', 'QpU'] }

And recompile LiteMol. Note this issue is probably also present in Mol*, as it probably uses the LiteMol code.

                name: 'Tag',
                common: { colorA: '#ffd400', names: ['T6T'] },
                charmm: { colorA: '#ffd400', names: [] },
                glycam: { colorA: '#ffd400', names: ['0JA', '0JB', '1JA', '1JB', '2JA', '2JB', '3JA', '3JB', '4JA', '4JB', '5JA', '5JB', 'WJA', 'WJB', '0JD', '0JU', '1JD', '1JU', '2JD', '2JU', '3JD', '3JU', '4JD', '4JU', '6JD', '6JU', 'WJD', 'WJU', 'VJD', 'VJU', 'UJD', 'UJU', 'QJD', 'QJU', '0jA', '0jB', '1jA', '1jB', '2jA', '2jB', '3jA', '3jB', '4jA', '4jB', '5jA', '5jB', 'WjA', 'WjB', '0jD', '0jU', '1jD', '1jU', '2jD', '2jU', '3jD', '3jU', '4jD', '4jU', '6jD', '6jU', 'WjD', 'WjU', 'VjD', 'VjU', 'UjD', 'UjU', 'QjD', 'QjU'] },
            }, {
                name: 'Sor',
                common: { colorA: '#f47920', names: ['SOE'] },
                charmm: { colorA: '#f47920', names: [] },
                glycam: { colorA: '#f47920', names: ['0BA', '0BB', '1BA', '1BB', '2BA', '2BB', '3BA', '3BB', '4BA', '4BB', '5BA', '5BB', 'WBA', 'WBB', '0BD', '0BU', '1BD', '1BU', '2BD', '2BU', '3BD', '3BU', '4BD', '4BU', '6BD', '6BU', 'WBD', 'WBU', 'VBD', 'VBU', 'UBD', 'UBU', 'QBD', 'QBU', '0bA', '0bB', '1bA', '1bB', '2bA', '2bB', '3bA', '3bB', '4bA', '4bB', '5bA', '5bB', 'WbA', 'WbB', '0bD', '0bU', '1bD', '1bU', '2bD', '2bU', '3bD', '3bU', '4bD', '4bU', '6bD', '6bU', 'WbD', 'WbU', 'VbD', 'VbU', 'UbD', 'UbU', 'QbD', 'QbU'] },
            }, {
                name: 'Psi',
                common: { colorA: '#f69ea1', names: [] },
                charmm: { colorA: '#f69ea1', names: [] },
                glycam: { colorA: '#f69ea1', names: [] }
            }]
cexum commented 1 year ago

The fix here is to implement Mol*.

gitoliver commented 4 months ago

Works now.