dsehnal / LiteMol

A library/plugin for handling 3D structural molecular data (not only) in the browser.
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Cartoons cannot be constructred from this model/selection #39

Open ye1002551506 opened 5 years ago

ye1002551506 commented 5 years ago

I found that even if they are all pdb files, some can be displayed, some can not.

  1. When I run the local DhaA80_0001.pdb file, I can display the result, and the file looks like this.

HEADER UNKNOWN dhaa ATOM 1 N ILE A 4 -8.754 -16.132 -8.009 1.00 0.00 N
ATOM 2 HG22 ILE A 4 -6.941 -19.752 -7.067 1.00 0.00 H
ATOM 3 CG1 ILE A 4 -9.791 -18.984 -7.565 1.00 0.00 C
ATOM 4 H2 ILE A 4 -8.294 -15.261 -8.230 1.00 0.00 H
ATOM 5 H1 ILE A 4 -9.301 -16.392 -8.817 1.00 0.00 H
ATOM 6 C ILE A 4 -6.494 -17.081 -8.649 1.00 0.00 C
ATOM 7 HA ILE A 4 -7.450 -17.195 -6.778 1.00 0.00 H
...

My code is like this

<html>
<head>
        <!-- Complied & minified library css -->
        <link rel="stylesheet" href="//www.ebi.ac.uk/pdbe/pdb-component-library/v1.0/css/pdb.component.library.min-1.0.0.css" />
        <!-- Dependencey scripts (these can be skipped if already included in page) -->
        <script src="//www.ebi.ac.uk/pdbe/pdb-component-library/libs/d3.min.js"></script>
        <script src="//www.ebi.ac.uk/pdbe/pdb-component-library/libs/angular.1.4.7.min.js"></script>

        <!-- Complied & minified library JS -->
        <script src="//www.ebi.ac.uk/pdbe/pdb-component-library/v1.0/js/pdb.component.library.min-1.0.0.js"></script>
</head>
<body>
    <script> 

        (function () {
        'use strict';
        angular.element(document).ready(function () {
            angular.bootstrap(document, ['pdb.component.library']);
        });
        }());

    </script>

  <pdb-lite-mol pdb-id="'1'"  source-url="http://localhost:8080/DhaA80_0001.pdb" source-format="pdb" ></pdb-lite-mol>

</body>
</html>

2.When I run the local tun_cl_001_1.pdb file, it can't be displayed,and the file looks like this.

ATOM 1 H FIL T 1 4.585 -1.820 -2.756 1.41
ATOM 2 H FIL T 1 3.963 -2.073 -2.031 1.23
CONECT 1 2 ATOM 3 H FIL T 1 3.116 -2.498 -1.804 1.19
CONECT 2 3 ATOM 4 H FIL T 1 2.356 -2.813 -1.472 1.36
CONECT 3 4 ATOM 5 H FIL T 1 1.541 -2.309 -1.443 1.32
CONECT 4 5 ATOM 6 H FIL T 1 0.822 -2.077 -0.795 1.48
CONECT 5 6 ATOM 7 H FIL T 1 0.150 -1.739 -0.173 1.82
CONECT 6 7
...

My code is like this

<!DOCTYPE html>
<html>
<head>
            <!-- Complied & minified library css -->
        <link rel="stylesheet" href="//www.ebi.ac.uk/pdbe/pdb-component-library/v1.0/css/pdb.component.library.min-1.0.0.css" />

        <!-- Dependencey scripts (these can be skipped if already included in page) -->
        <script src="//www.ebi.ac.uk/pdbe/pdb-component-library/libs/d3.min.js"></script>
        <script src="//www.ebi.ac.uk/pdbe/pdb-component-library/libs/angular.1.4.7.min.js"></script>

        <!-- Complied & minified library JS -->
        <script src="//www.ebi.ac.uk/pdbe/pdb-component-library/v1.0/js/pdb.component.library.min-1.0.0.js"></script>
</head>
<body>
    <script> 

        (function () {
        'use strict';
        angular.element(document).ready(function () {
            angular.bootstrap(document, ['pdb.component.library']);
        });
        }());
    </script>
   <pdb-lite-mol pdb-id="'1'"  source-url="http://localhost:8080/tun_cl_001_1.pdb" source-format="pdb" ></pdb-lite-mol>

</body>
</html>

Finally prompted me "Cartoons cannot be constructred from this model/selection", I don't understand, because they are all pdb files? Who is experiencing this problem? How to solve it? Thank you in advance, God.

Originally posted by @ye1002551506 in https://github.com/dsehnal/LiteMol/issues/29#issuecomment-467349001

ye1002551506 commented 5 years ago

I know why, I have already suggested that the model does not match and should start with the model. The second pdb file is a cavity model that cannot be displayed in the form of Cartoon, but can be displayed in VDW Balls. The problem has been solved