icn3d 3.31.2 → 3.31.3

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package/icn3d.module.js CHANGED
@@ -3570,20 +3570,20 @@ THREE.OrthographicTrackballControls.prototype = Object.create( THREE.EventDispat
3570
3570
  THREE.OrthographicTrackballControls.prototype.constructor = THREE.OrthographicTrackballControls;
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3571
 
3572
3572
 
3573
- ; var __CIFTools = function () {
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- 'use strict';
3573
+ // ; var __CIFTools = function () {
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+ // 'use strict';
3575
3575
  /*
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  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
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  */
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  var CIFTools;
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  (function (CIFTools) {
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  CIFTools.VERSION = { number: "1.1.7", date: "Oct 30 2018" };
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- })(CIFTools || (CIFTools = {}));
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+ // })(CIFTools || (CIFTools = {}));
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  /*
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3583
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
3584
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  */
3585
- var CIFTools;
3586
- (function (CIFTools) {
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+ // var CIFTools;
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+ // (function (CIFTools) {
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3587
  var Utils;
3588
3588
  (function (Utils) {
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  var ChunkedArray;
@@ -3721,7 +3721,7 @@ var CIFTools;
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  ChunkedArray.create = create;
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  })(ChunkedArray = Utils.ChunkedArray || (Utils.ChunkedArray = {}));
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  })(Utils = CIFTools.Utils || (CIFTools.Utils = {}));
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- })(CIFTools || (CIFTools = {}));
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+ // })(CIFTools || (CIFTools = {}));
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3725
  /*
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3726
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
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  */
@@ -3731,9 +3731,9 @@ var CIFTools;
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  * For the purposes of parsing numbers from the mmCIF data representations,
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  * up to 4 times faster than JS parseInt/parseFloat.
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  */
3734
- var CIFTools;
3735
- (function (CIFTools) {
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- var Utils;
3734
+ // var CIFTools;
3735
+ // (function (CIFTools) {
3736
+ // var Utils;
3737
3737
  (function (Utils) {
3738
3738
  var FastNumberParsers;
3739
3739
  (function (FastNumberParsers) {
@@ -3813,13 +3813,13 @@ var CIFTools;
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  FastNumberParsers.parseFloat = parseFloat;
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  })(FastNumberParsers = Utils.FastNumberParsers || (Utils.FastNumberParsers = {}));
3815
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  })(Utils = CIFTools.Utils || (CIFTools.Utils = {}));
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- })(CIFTools || (CIFTools = {}));
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+ // })(CIFTools || (CIFTools = {}));
3817
3817
  /*
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  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
3819
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  */
3820
- var CIFTools;
3821
- (function (CIFTools) {
3822
- var Utils;
3820
+ // var CIFTools;
3821
+ // (function (CIFTools) {
3822
+ // var Utils;
3823
3823
  (function (Utils) {
3824
3824
  var __paddingSpaces = [];
3825
3825
  (function () {
@@ -3962,13 +3962,13 @@ var CIFTools;
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3962
  StringWriter.writeFloatPadRight = writeFloatPadRight;
3963
3963
  })(StringWriter = Utils.StringWriter || (Utils.StringWriter = {}));
3964
3964
  })(Utils = CIFTools.Utils || (CIFTools.Utils = {}));
3965
- })(CIFTools || (CIFTools = {}));
3965
+ // })(CIFTools || (CIFTools = {}));
3966
3966
  /*
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  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
3968
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  */
3969
- var CIFTools;
3970
- (function (CIFTools) {
3971
- "use strict";
3969
+ // var CIFTools;
3970
+ // (function (CIFTools) {
3971
+ // "use strict";
3972
3972
  /**
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3973
  * Represents a column that is not present.
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  */
@@ -4028,13 +4028,13 @@ var CIFTools;
4028
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  }
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  Category.getVector = getVector;
4030
4030
  })(Category = CIFTools.Category || (CIFTools.Category = {}));
4031
- })(CIFTools || (CIFTools = {}));
4031
+ // })(CIFTools || (CIFTools = {}));
4032
4032
  /*
4033
4033
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
4034
4034
  */
4035
- var CIFTools;
4036
- (function (CIFTools) {
4037
- "use strict";
4035
+ // var CIFTools;
4036
+ // (function (CIFTools) {
4037
+ // "use strict";
4038
4038
  var ParserResult;
4039
4039
  (function (ParserResult) {
4040
4040
  function error(message, line) {
@@ -4072,7 +4072,7 @@ var CIFTools;
4072
4072
  return ParserSuccess;
4073
4073
  }());
4074
4074
  CIFTools.ParserSuccess = ParserSuccess;
4075
- })(CIFTools || (CIFTools = {}));
4075
+ // })(CIFTools || (CIFTools = {}));
4076
4076
  /*
4077
4077
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
4078
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  */
@@ -4116,8 +4116,8 @@ var CIFTools;
4116
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  in memory that is very efficient, fast and introduces a very minimal overhead.
4117
4117
 
4118
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  */
4119
- var CIFTools;
4120
- (function (CIFTools) {
4119
+ // var CIFTools;
4120
+ // (function (CIFTools) {
4121
4121
  var Text;
4122
4122
  (function (Text) {
4123
4123
  "use strict";
@@ -4341,13 +4341,13 @@ var CIFTools;
4341
4341
  }());
4342
4342
  Text.Column = Column;
4343
4343
  })(Text = CIFTools.Text || (CIFTools.Text = {}));
4344
- })(CIFTools || (CIFTools = {}));
4344
+ // })(CIFTools || (CIFTools = {}));
4345
4345
  /*
4346
4346
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
4347
4347
  */
4348
- var CIFTools;
4349
- (function (CIFTools) {
4350
- var Text;
4348
+ // var CIFTools;
4349
+ // (function (CIFTools) {
4350
+ // var Text;
4351
4351
  (function (Text) {
4352
4352
  "use strict";
4353
4353
  var TokenIndexBuilder;
@@ -4861,13 +4861,13 @@ var CIFTools;
4861
4861
  }
4862
4862
  Text.parse = parse;
4863
4863
  })(Text = CIFTools.Text || (CIFTools.Text = {}));
4864
- })(CIFTools || (CIFTools = {}));
4864
+ // })(CIFTools || (CIFTools = {}));
4865
4865
  /*
4866
4866
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
4867
4867
  */
4868
- var CIFTools;
4869
- (function (CIFTools) {
4870
- var Text;
4868
+ // var CIFTools;
4869
+ // (function (CIFTools) {
4870
+ // var Text;
4871
4871
  (function (Text) {
4872
4872
  "use strict";
4873
4873
  var StringWriter = CIFTools.Utils.StringWriter;
@@ -5107,12 +5107,12 @@ var CIFTools;
5107
5107
  }
5108
5108
  }
5109
5109
  })(Text = CIFTools.Text || (CIFTools.Text = {}));
5110
- })(CIFTools || (CIFTools = {}));
5110
+ // })(CIFTools || (CIFTools = {}));
5111
5111
  /*
5112
5112
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
5113
5113
  */
5114
- var CIFTools;
5115
- (function (CIFTools) {
5114
+ // var CIFTools;
5115
+ // (function (CIFTools) {
5116
5116
  var Binary;
5117
5117
  (function (Binary) {
5118
5118
  var MessagePack;
@@ -5328,13 +5328,13 @@ var CIFTools;
5328
5328
  MessagePack.decode = decode;
5329
5329
  })(MessagePack = Binary.MessagePack || (Binary.MessagePack = {}));
5330
5330
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
5331
- })(CIFTools || (CIFTools = {}));
5331
+ // })(CIFTools || (CIFTools = {}));
5332
5332
  /*
5333
5333
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
5334
5334
  */
5335
- var CIFTools;
5336
- (function (CIFTools) {
5337
- var Binary;
5335
+ // var CIFTools;
5336
+ // (function (CIFTools) {
5337
+ // var Binary;
5338
5338
  (function (Binary) {
5339
5339
  var MessagePack;
5340
5340
  (function (MessagePack) {
@@ -5622,13 +5622,13 @@ var CIFTools;
5622
5622
  }
5623
5623
  })(MessagePack = Binary.MessagePack || (Binary.MessagePack = {}));
5624
5624
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
5625
- })(CIFTools || (CIFTools = {}));
5625
+ // })(CIFTools || (CIFTools = {}));
5626
5626
  /*
5627
5627
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
5628
5628
  */
5629
- var CIFTools;
5630
- (function (CIFTools) {
5631
- var Binary;
5629
+ // var CIFTools;
5630
+ // (function (CIFTools) {
5631
+ // var Binary;
5632
5632
  (function (Binary) {
5633
5633
  var MessagePack;
5634
5634
  (function (MessagePack) {
@@ -5748,13 +5748,13 @@ var CIFTools;
5748
5748
  MessagePack.utf8ByteCount = utf8ByteCount;
5749
5749
  })(MessagePack = Binary.MessagePack || (Binary.MessagePack = {}));
5750
5750
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
5751
- })(CIFTools || (CIFTools = {}));
5751
+ // })(CIFTools || (CIFTools = {}));
5752
5752
  /*
5753
5753
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
5754
5754
  */
5755
- var CIFTools;
5756
- (function (CIFTools) {
5757
- var Binary;
5755
+ // var CIFTools;
5756
+ // (function (CIFTools) {
5757
+ // var Binary;
5758
5758
  (function (Binary) {
5759
5759
  "use strict";
5760
5760
  /**
@@ -5956,13 +5956,13 @@ var CIFTools;
5956
5956
  }
5957
5957
  })(Decoder || (Decoder = {}));
5958
5958
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
5959
- })(CIFTools || (CIFTools = {}));
5959
+ // })(CIFTools || (CIFTools = {}));
5960
5960
  /*
5961
5961
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
5962
5962
  */
5963
- var CIFTools;
5964
- (function (CIFTools) {
5965
- var Binary;
5963
+ // var CIFTools;
5964
+ // (function (CIFTools) {
5965
+ // var Binary;
5966
5966
  (function (Binary) {
5967
5967
  "use strict";
5968
5968
  var File = /** @class */ (function () {
@@ -6120,13 +6120,13 @@ var CIFTools;
6120
6120
  return MaskedStringColumn;
6121
6121
  }());
6122
6122
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
6123
- })(CIFTools || (CIFTools = {}));
6123
+ // })(CIFTools || (CIFTools = {}));
6124
6124
  /*
6125
6125
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
6126
6126
  */
6127
- var CIFTools;
6128
- (function (CIFTools) {
6129
- var Binary;
6127
+ // var CIFTools;
6128
+ // (function (CIFTools) {
6129
+ // var Binary;
6130
6130
  (function (Binary) {
6131
6131
  "use strict";
6132
6132
  /**
@@ -6486,13 +6486,13 @@ var CIFTools;
6486
6486
  Encoder.stringArray = stringArray;
6487
6487
  })(Encoder = Binary.Encoder || (Binary.Encoder = {}));
6488
6488
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
6489
- })(CIFTools || (CIFTools = {}));
6489
+ // })(CIFTools || (CIFTools = {}));
6490
6490
  /*
6491
6491
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
6492
6492
  */
6493
- var CIFTools;
6494
- (function (CIFTools) {
6495
- var Binary;
6493
+ // var CIFTools;
6494
+ // (function (CIFTools) {
6495
+ // var Binary;
6496
6496
  (function (Binary) {
6497
6497
  "use strict";
6498
6498
  Binary.VERSION = '0.3.0';
@@ -6527,13 +6527,13 @@ var CIFTools;
6527
6527
  Encoding.isSignedIntegerDataType = isSignedIntegerDataType;
6528
6528
  })(Encoding = Binary.Encoding || (Binary.Encoding = {}));
6529
6529
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
6530
- })(CIFTools || (CIFTools = {}));
6530
+ // })(CIFTools || (CIFTools = {}));
6531
6531
  /*
6532
6532
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
6533
6533
  */
6534
- var CIFTools;
6535
- (function (CIFTools) {
6536
- var Binary;
6534
+ // var CIFTools;
6535
+ // (function (CIFTools) {
6536
+ // var Binary;
6537
6537
  (function (Binary) {
6538
6538
  "use strict";
6539
6539
  function checkVersions(min, current) {
@@ -6560,13 +6560,13 @@ var CIFTools;
6560
6560
  }
6561
6561
  Binary.parse = parse;
6562
6562
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
6563
- })(CIFTools || (CIFTools = {}));
6563
+ // })(CIFTools || (CIFTools = {}));
6564
6564
  /*
6565
6565
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
6566
6566
  */
6567
- var CIFTools;
6568
- (function (CIFTools) {
6569
- var Binary;
6567
+ // var CIFTools;
6568
+ // (function (CIFTools) {
6569
+ // var Binary;
6570
6570
  (function (Binary) {
6571
6571
  "use strict";
6572
6572
  function encodeField(field, data, totalCount) {
@@ -6669,17 +6669,17 @@ var CIFTools;
6669
6669
  }());
6670
6670
  Binary.Writer = Writer;
6671
6671
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
6672
- })(CIFTools || (CIFTools = {}));
6673
- return CIFTools;
6674
- }
6675
- if (typeof module === 'object' && typeof module.exports === 'object') {
6676
- module.exports = __CIFTools();
6677
- } else if (typeof define === 'function' && define.amd) {
6678
- define(['require'], function(require) { return __CIFTools(); })
6679
- } else {
6680
- var __target = !!window ? window : this;
6681
- __target.CIFTools = __CIFTools();
6682
- }
6672
+ })(CIFTools || (CIFTools = {}));
6673
+ // return CIFTools;
6674
+ // }
6675
+ // if (typeof module === 'object' && typeof module.exports === 'object') {
6676
+ // module.exports = __CIFTools();
6677
+ // } else if (typeof define === 'function' && define.amd) {
6678
+ // define(['require'], function(require) { return __CIFTools(); })
6679
+ // } else {
6680
+ // var __target = !!window ? window : this;
6681
+ // __target.CIFTools = __CIFTools();
6682
+ // }
6683
6683
 
6684
6684
 
6685
6685
  /*
@@ -17826,7 +17826,6 @@ class Events {
17826
17826
  thisClass.setLogCmd('load mmcif file ' + $("#" + me.pre + "mmciffile").val(), false);
17827
17827
  ic.molTitle = "";
17828
17828
 
17829
- /*
17830
17829
  // let url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
17831
17830
  // //ic.bCid = undefined;
17832
17831
 
@@ -17844,19 +17843,6 @@ class Events {
17844
17843
  ic.InputfileType = 'mmcif';
17845
17844
  // await ic.mmcifParserCls.loadMmcifData(data);
17846
17845
  await ic.opmParserCls.loadOpmData(dataStr, undefined, undefined, 'mmcif', undefined, bText);
17847
- */
17848
-
17849
- let url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
17850
-
17851
- let dataObj = {'mmciffile': dataStr};
17852
- let data = await me.getAjaxPostPromise(url, dataObj, true);
17853
-
17854
- //ic.initUI();
17855
- ic.init();
17856
- ic.bInputfile = true;
17857
- ic.InputfileData = (ic.InputfileData) ? ic.InputfileData + '\nENDMDL\n' + data : data;
17858
- ic.InputfileType = 'mmcif';
17859
- await ic.mmcifParserCls.loadMmcifData(data);
17860
17846
  };
17861
17847
  reader.readAsText(file);
17862
17848
  }
@@ -55383,7 +55369,6 @@ class MmcifParser {
55383
55369
  let url = "https://files.rcsb.org/download/" + mmcifid + ".cif";
55384
55370
  let data = await me.getAjaxPromise(url, 'text', true);
55385
55371
 
55386
- /*
55387
55372
  // url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
55388
55373
  // let dataObj = {'mmciffile': data};
55389
55374
  // let data2 = await me.getAjaxPostPromise(url, dataObj, true);
@@ -55396,13 +55381,6 @@ class MmcifParser {
55396
55381
 
55397
55382
  // await this.loadMmcifData(bcifJson, mmcifid);
55398
55383
  await ic.opmParserCls.loadOpmData(data, mmcifid, undefined, 'mmcif', undefined, bText);
55399
- */
55400
-
55401
- url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
55402
- let dataObj = {'mmciffile': data};
55403
- let data2 = await me.getAjaxPostPromise(url, dataObj, true);
55404
-
55405
- await this.loadMmcifData(data2, mmcifid);
55406
55384
  }
55407
55385
 
55408
55386
  async downloadMmcifSymmetry(mmcifid, type) { let ic = this.icn3d, me = ic.icn3dui;
@@ -56097,8 +56075,6 @@ class BcifParser {
56097
56075
  await ic.opmParserCls.loadOpmData(bcifArrayBuffer, bcifid, undefined, 'bcif', undefined, bText);
56098
56076
  }
56099
56077
 
56100
- // For text mmCIF file, CIFTools library does not support atom_site.getColumn("Cartn_x").data,
56101
- // but just support atom_site.getColumn("Cartn_x").getFloat(i). So do not use "bText = true" for now.
56102
56078
  getBcifJson(bcifData, bcifid, bText, bNoCoord) { let ic = this.icn3d, me = ic.icn3dui;
56103
56079
  let text = "";
56104
56080
 
@@ -56161,25 +56137,25 @@ class BcifParser {
56161
56137
  // Retrieve the table corresponding to the struct_conf category, which delineates mainly helix
56162
56138
  let struct_conf = block.getCategory("_struct_conf");
56163
56139
 
56164
- let conf_type_idArray = struct_conf.getColumn("conf_type_id").data;
56140
+ let conf_type_idArray = struct_conf.getColumn("conf_type_id");
56165
56141
 
56166
- let chain1Array = struct_conf.getColumn("beg_auth_asym_id").data;
56167
- let resi1Array = struct_conf.getColumn("beg_label_seq_id").data;
56142
+ let chain1Array = struct_conf.getColumn("beg_auth_asym_id");
56143
+ let resi1Array = struct_conf.getColumn("beg_label_seq_id");
56168
56144
 
56169
- let chain2Array = struct_conf.getColumn("end_auth_asym_id").data;
56170
- let resi2Array = struct_conf.getColumn("end_label_seq_id").data;
56145
+ let chain2Array = struct_conf.getColumn("end_auth_asym_id");
56146
+ let resi2Array = struct_conf.getColumn("end_label_seq_id");
56171
56147
 
56172
56148
  // Iterate through every row in the struct_conf category table, where each row delineates an interatomic connection
56173
56149
  let confSize = struct_conf.rowCount;
56174
56150
  for (let i = 0; i < confSize; ++i) {
56175
- let conf_type_id = conf_type_idArray[i];
56151
+ let conf_type_id = conf_type_idArray.getString(i);
56176
56152
 
56177
- let chain1 = chain1Array[i];
56178
- let resi1 = resi1Array[i];
56153
+ let chain1 = chain1Array.getString(i);
56154
+ let resi1 = resi1Array.getString(i);
56179
56155
  let id1 = chain1 + "_" + resi1;
56180
56156
 
56181
- let chain2 = chain2Array[i];
56182
- let resi2 = resi2Array[i];
56157
+ let chain2 = chain2Array.getString(i);
56158
+ let resi2 = resi2Array.getString(i);
56183
56159
  let id2 = chain2 + "_" + resi2;
56184
56160
 
56185
56161
  let ss;
@@ -56211,23 +56187,23 @@ class BcifParser {
56211
56187
  // Retrieve the table corresponding to the struct_sheet_range category, which delineates mainly beta sheet
56212
56188
  let struct_sheet_range = block.getCategory("_struct_sheet_range");
56213
56189
 
56214
- let chain1Array = struct_sheet_range.getColumn("beg_auth_asym_id").data;
56215
- let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id").data;
56190
+ let chain1Array = struct_sheet_range.getColumn("beg_auth_asym_id");
56191
+ let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id");
56216
56192
 
56217
- let chain2Array = struct_sheet_range.getColumn("end_auth_asym_id").data;
56218
- let resi2Array = struct_sheet_range.getColumn("end_label_seq_id").data;
56193
+ let chain2Array = struct_sheet_range.getColumn("end_auth_asym_id");
56194
+ let resi2Array = struct_sheet_range.getColumn("end_label_seq_id");
56219
56195
 
56220
56196
  // Iterate through every row in the struct_sheet_range category table, where each row delineates an interatomic connection
56221
56197
  let sheetSize = struct_sheet_range.rowCount;
56222
56198
  for (let i = 0; i < sheetSize; ++i) {
56223
- let chain1 = chain1Array[i];
56224
- let resi1 = resi1Array[i];
56199
+ let chain1 = chain1Array.getString(i);
56200
+ let resi1 = resi1Array.getString(i);
56225
56201
  let id1 = chain1 + "_" + resi1;
56226
56202
 
56227
56203
  sSSBegin[id1] = 1;
56228
56204
 
56229
- let chain2 = chain2Array[i];
56230
- let resi2 = resi2Array[i];
56205
+ let chain2 = chain2Array.getString(i);
56206
+ let resi2 = resi2Array.getString(i);
56231
56207
  let id2 = chain2 + "_" + resi2;
56232
56208
 
56233
56209
  sSSEnd[id2] = 1;
@@ -56252,28 +56228,28 @@ class BcifParser {
56252
56228
  // Retrieve the table corresponding to the struct_conn category, which delineates connections1
56253
56229
  let struct_conn = block.getCategory("_struct_conn");
56254
56230
 
56255
- let conn_type_idArray = struct_conn.getColumn("conn_type_id").data;
56231
+ let conn_type_idArray = struct_conn.getColumn("conn_type_id");
56256
56232
 
56257
- let chain1Array = struct_conn.getColumn("ptnr1_auth_asym_id").data;
56258
- let name1Array = struct_conn.getColumn("ptnr1_label_atom_id").data;
56259
- let resi1Array = struct_conn.getColumn("ptnr1_label_seq_id").data;
56233
+ let chain1Array = struct_conn.getColumn("ptnr1_auth_asym_id");
56234
+ let name1Array = struct_conn.getColumn("ptnr1_label_atom_id");
56235
+ let resi1Array = struct_conn.getColumn("ptnr1_label_seq_id");
56260
56236
 
56261
- let chain2Array = struct_conn.getColumn("ptnr2_auth_asym_id").data;
56262
- let name2Array = struct_conn.getColumn("ptnr2_label_atom_id").data;
56263
- let resi2Array = struct_conn.getColumn("ptnr2_label_seq_id").data;
56237
+ let chain2Array = struct_conn.getColumn("ptnr2_auth_asym_id");
56238
+ let name2Array = struct_conn.getColumn("ptnr2_label_atom_id");
56239
+ let resi2Array = struct_conn.getColumn("ptnr2_label_seq_id");
56264
56240
 
56265
56241
  let connSize = struct_conn.rowCount;
56266
56242
  for (let i = 0; i < connSize; ++i) {
56267
- let conn_type_id = conn_type_idArray[i];
56243
+ let conn_type_id = conn_type_idArray.getString(i);
56268
56244
 
56269
- let chain1 = chain1Array[i];
56270
- let name1 = name1Array[i];
56271
- let resi1 = resi1Array[i];
56245
+ let chain1 = chain1Array.getString(i);
56246
+ let name1 = name1Array.getString(i);
56247
+ let resi1 = resi1Array.getString(i);
56272
56248
  let id1 = chain1 + "_" + resi1 + "_" + name1;
56273
56249
 
56274
- let chain2 = chain2Array[i];
56275
- let name2 = name2Array[i];
56276
- let resi2 = resi2Array[i];
56250
+ let chain2 = chain2Array.getString(i);
56251
+ let name2 = name2Array.getString(i);
56252
+ let resi2 = resi2Array.getString(i);
56277
56253
  let id2 = chain2 + "_" + resi2 + "_" + name2;
56278
56254
 
56279
56255
  // Verify that the linkage is covalent, as indicated by the conn_type_id attribute2
@@ -56314,40 +56290,40 @@ class BcifParser {
56314
56290
  let atom_hetatmArray, resnArray, elemArray, nameArray, chainArray, resiArray, resiOriArray, altArray, bArray, xArray, yArray, zArray, autochainArray = [];
56315
56291
 
56316
56292
  if(!bNoCoord) {
56317
- atom_hetatmArray = atom_site.getColumn("group_PDB").data;
56318
- resnArray = atom_site.getColumn("label_comp_id").data;
56319
- elemArray = atom_site.getColumn("type_symbol").data;
56320
- nameArray = atom_site.getColumn("label_atom_id").data;
56293
+ atom_hetatmArray = atom_site.getColumn("group_PDB");
56294
+ resnArray = atom_site.getColumn("label_comp_id");
56295
+ elemArray = atom_site.getColumn("type_symbol");
56296
+ nameArray = atom_site.getColumn("label_atom_id");
56321
56297
 
56322
- chainArray = atom_site.getColumn("auth_asym_id").data;
56298
+ chainArray = atom_site.getColumn("auth_asym_id");
56323
56299
 
56324
- resiArray = atom_site.getColumn("label_seq_id").data;
56325
- resiOriArray = atom_site.getColumn("auth_seq_id").data;
56326
- altArray = atom_site.getColumn("label_alt_id").data;
56300
+ resiArray = atom_site.getColumn("label_seq_id");
56301
+ resiOriArray = atom_site.getColumn("auth_seq_id");
56302
+ altArray = atom_site.getColumn("label_alt_id");
56327
56303
 
56328
- bArray = atom_site.getColumn("B_iso_or_equiv").data;
56304
+ bArray = atom_site.getColumn("B_iso_or_equiv");
56329
56305
 
56330
- xArray = atom_site.getColumn("Cartn_x").data;
56331
- yArray = atom_site.getColumn("Cartn_y").data;
56332
- zArray = atom_site.getColumn("Cartn_z").data;
56306
+ xArray = atom_site.getColumn("Cartn_x");
56307
+ yArray = atom_site.getColumn("Cartn_y");
56308
+ zArray = atom_site.getColumn("Cartn_z");
56333
56309
 
56334
- autochainArray = atom_site.getColumn("label_asym_id").data;
56310
+ autochainArray = atom_site.getColumn("label_asym_id");
56335
56311
 
56336
56312
  // get the bond info
56337
56313
  let ligSeqHash = {}, prevAutochain = '';
56338
56314
  for (let i = 0; i < atomSize; ++i) {
56339
- let atom_hetatm = atom_hetatmArray[i];
56340
- let resn = resnArray[i];
56341
- let elem = elemArray[i];
56342
- let name = nameArray[i];
56315
+ let atom_hetatm = atom_hetatmArray.getString(i);
56316
+ let resn = resnArray.getString(i);
56317
+ let elem = elemArray.getString(i);
56318
+ let name = nameArray.getString(i);
56343
56319
  // use the chain name from author, and use seq id from standardized seq id
56344
56320
  //let chain = atom_site.getColumn("label_asym_id").getString(i);
56345
- let chain = chainArray[i];
56346
- let resi = resiArray[i];
56347
- let oriResi = resiOriArray[i];
56348
- let alt = altArray[i];
56321
+ let chain = chainArray.getString(i);
56322
+ let resi = resiArray.getString(i);
56323
+ let oriResi = resiOriArray.getString(i);
56324
+ let alt = altArray.getString(i);
56349
56325
 
56350
- let autochain = autochainArray[i];
56326
+ let autochain = autochainArray.getString(i);
56351
56327
 
56352
56328
  resi = oriResi;
56353
56329
 
@@ -56418,9 +56394,9 @@ class BcifParser {
56418
56394
  }
56419
56395
  }
56420
56396
 
56421
- let x = xArray[i];
56422
- let y = yArray[i];
56423
- let z = zArray[i];
56397
+ let x = xArray.getFloat(i);
56398
+ let y = yArray.getFloat(i);
56399
+ let z = zArray.getFloat(i);
56424
56400
 
56425
56401
  let id = serial.toString();
56426
56402
 
@@ -56516,18 +56492,18 @@ class BcifParser {
56516
56492
  }
56517
56493
 
56518
56494
  for (let i = 0; i < atomSize; ++i) {
56519
- let atom_hetatm = atom_hetatmArray[i];
56520
- let resn = resnArray[i];
56521
- let elem = elemArray[i];
56522
- let name = nameArray[i];
56495
+ let atom_hetatm = atom_hetatmArray.getString(i);
56496
+ let resn = resnArray.getString(i);
56497
+ let elem = elemArray.getString(i);
56498
+ let name = nameArray.getString(i);
56523
56499
  // use the chain name from author, and use seq id from standardized seq id
56524
56500
  //let chain = atom_site.getColumn("label_asym_id").getString(i);
56525
- let chain = chainArray[i];
56526
- let resi = resiArray[i];
56527
- let oriResi = resiOriArray[i];
56528
- let alt = altArray[i];
56501
+ let chain = chainArray.getString(i);
56502
+ let resi = resiArray.getString(i);
56503
+ let oriResi = resiOriArray.getString(i);
56504
+ let alt = altArray.getString(i);
56529
56505
 
56530
- let autochain = autochainArray[i];
56506
+ let autochain = autochainArray.getString(i);
56531
56507
 
56532
56508
  resi = oriResi;
56533
56509
 
@@ -56575,11 +56551,11 @@ class BcifParser {
56575
56551
  // }
56576
56552
  }
56577
56553
 
56578
- let b = bArray[i];
56554
+ let b = bArray.getString(i);
56579
56555
 
56580
- let x = xArray[i];
56581
- let y = yArray[i];
56582
- let z = zArray[i];
56556
+ let x = xArray.getFloat(i);
56557
+ let y = yArray.getFloat(i);
56558
+ let z = zArray.getFloat(i);
56583
56559
  //int serial = parseInt(atom_site(i, "id"));
56584
56560
 
56585
56561
  //let id = chain + "_" + resi + "_" + name;
@@ -56667,19 +56643,19 @@ class BcifParser {
56667
56643
  if(block.getCategory("_pdbx_poly_seq_scheme")) {
56668
56644
  let poly_seq_scheme = block.getCategory("_pdbx_poly_seq_scheme");
56669
56645
 
56670
- let resiArray = poly_seq_scheme.getColumn("seq_id").data;
56671
- let oriResiArray = poly_seq_scheme.getColumn("pdb_seq_num").data;
56672
- let resnArray = poly_seq_scheme.getColumn("mon_id").data;
56673
- let chainArray = poly_seq_scheme.getColumn("pdb_strand_id").data;
56646
+ let resiArray = poly_seq_scheme.getColumn("seq_id");
56647
+ let oriResiArray = poly_seq_scheme.getColumn("pdb_seq_num");
56648
+ let resnArray = poly_seq_scheme.getColumn("mon_id");
56649
+ let chainArray = poly_seq_scheme.getColumn("pdb_strand_id");
56674
56650
 
56675
56651
  let seqSize = poly_seq_scheme.rowCount;
56676
56652
  let prevChain = "";
56677
56653
  let seq = "";
56678
56654
  for (let i = 0; i < seqSize; ++i) {
56679
- resiArray[i];
56680
- let oriResi = oriResiArray[i];
56681
- let resn = resnArray[i];
56682
- let chain = chainArray[i];
56655
+ resiArray.getString(i);
56656
+ let oriResi = oriResiArray.getString(i);
56657
+ let resn = resnArray.getString(i);
56658
+ let chain = chainArray.getString(i);
56683
56659
 
56684
56660
  if(chain != prevChain) {
56685
56661
  if(i == 0) {
@@ -57108,19 +57084,16 @@ class OpmParser {
57108
57084
  if(type === 'mmtf') {
57109
57085
  await ic.bcifParserCls.parseBcifData(data, pdbid, bFull);
57110
57086
  }
57111
- else if(type === 'bcif') {
57112
- await ic.bcifParserCls.parseBcifData(data, pdbid, bFull);
57113
- }
57114
57087
  else
57115
57088
  */
57116
57089
 
57117
57090
  if(type === 'mmcif' || type === 'bcif') {
57118
- if(type === 'mmcif') {
57119
- ic.loadAtomDataCls.loadAtomDataIn(data, data.mmcif, 'mmcifid', undefined, undefined);
57120
- }
57121
- else if(type === 'bcif') {
57091
+ // if(type === 'mmcif') {
57092
+ // ic.loadAtomDataCls.loadAtomDataIn(data, data.mmcif, 'mmcifid', undefined, undefined);
57093
+ // }
57094
+ // else if(type === 'bcif') {
57122
57095
  ic.loadCIFCls.loadCIF(data, pdbid, bText);
57123
- }
57096
+ // }
57124
57097
 
57125
57098
  if(ic.emd !== undefined) {
57126
57099
  $("#" + ic.pre + "mapWrapper1").hide();
@@ -57136,7 +57109,7 @@ class OpmParser {
57136
57109
  if(Object.keys(ic.structures).length == 1) {
57137
57110
  $("#" + ic.pre + "alternateWrapper").hide();
57138
57111
  }
57139
-
57112
+ /*
57140
57113
  // load assembly info
57141
57114
  if(type === 'mmcif') {
57142
57115
  let assembly =(data.assembly !== undefined) ? data.assembly : [];
@@ -57148,7 +57121,7 @@ class OpmParser {
57148
57121
  }
57149
57122
  }
57150
57123
  }
57151
-
57124
+ */
57152
57125
  if(ic.biomtMatrices !== undefined && ic.biomtMatrices.length > 1) {
57153
57126
  $("#" + ic.pre + "assemblyWrapper").show();
57154
57127
 
@@ -57270,7 +57243,6 @@ class PdbParser {
57270
57243
  await this.loadPdbData(data, id, undefined, bAppend);
57271
57244
  }
57272
57245
  else if(type === 'mmcif') {
57273
- /*
57274
57246
  // let url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
57275
57247
  // let dataObj = {'mmciffile': data};
57276
57248
  // let data2 = await me.getAjaxPostPromise(url, dataObj, true);
@@ -57282,12 +57254,6 @@ class PdbParser {
57282
57254
 
57283
57255
  // await ic.mmcifParserCls.loadMmcifData(bcifJson, undefined);
57284
57256
  await ic.opmParserCls.loadOpmData(data, undefined, undefined, 'mmcif', undefined, bText);
57285
- */
57286
-
57287
- let url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
57288
- let dataObj = {'mmciffile': data};
57289
- let data2 = await me.getAjaxPostPromise(url, dataObj, true);
57290
- await ic.mmcifParserCls.loadMmcifData(data2, undefined);
57291
57257
  }
57292
57258
  else if(type === 'mol2') {
57293
57259
  await ic.mol2ParserCls.loadMol2Data(data);
@@ -63634,8 +63600,6 @@ class LoadCIF {
63634
63600
  this.icn3d = icn3d;
63635
63601
  }
63636
63602
 
63637
- // For text mmCIF file, CIFTools library does not support atom_site.getColumn("Cartn_x").data,
63638
- // but just support atom_site.getColumn("Cartn_x").getFloat(i). So do not use "bText = true" for now.
63639
63603
  loadCIF(bcifData, bcifid, bText, bAppend) { let ic = this.icn3d, me = ic.icn3dui;
63640
63604
  let hAtoms = {};
63641
63605
 
@@ -63742,22 +63706,22 @@ class LoadCIF {
63742
63706
  // Retrieve the table corresponding to the struct_conf category, which delineates mainly helix
63743
63707
  let struct_conf = block.getCategory("_struct_conf");
63744
63708
 
63745
- let conf_type_idArray = struct_conf.getColumn("conf_type_id").data;
63709
+ let conf_type_idArray = struct_conf.getColumn("conf_type_id");
63746
63710
 
63747
- let chain1Array = struct_conf.getColumn("beg_auth_asym_id").data;
63748
- let resi1Array = struct_conf.getColumn("beg_label_seq_id").data;
63711
+ let chain1Array = struct_conf.getColumn("beg_auth_asym_id");
63712
+ let resi1Array = struct_conf.getColumn("beg_label_seq_id");
63749
63713
 
63750
- struct_conf.getColumn("end_auth_asym_id").data;
63751
- let resi2Array = struct_conf.getColumn("end_label_seq_id").data;
63714
+ struct_conf.getColumn("end_auth_asym_id");
63715
+ let resi2Array = struct_conf.getColumn("end_label_seq_id");
63752
63716
 
63753
63717
  // Iterate through every row in the struct_conf category table, where each row delineates an interatomic connection
63754
63718
  let confSize = struct_conf.rowCount;
63755
63719
  for (let i = 0; i < confSize; ++i) {
63756
- let conf_type_id = conf_type_idArray[i];
63720
+ let conf_type_id = conf_type_idArray.getString(i);
63757
63721
 
63758
- let startChain = chain1Array[i];
63759
- let startResi = parseInt(resi1Array[i]);
63760
- let endResi = parseInt(resi2Array[i]);
63722
+ let startChain = chain1Array.getString(i);
63723
+ let startResi = parseInt(resi1Array.getString(i));
63724
+ let endResi = parseInt(resi2Array.getString(i));
63761
63725
 
63762
63726
  if(conf_type_id.substr(0, 4) == "HELX") {
63763
63727
  for(let j = parseInt(startResi); j <= parseInt(endResi); ++j) {
@@ -63786,18 +63750,18 @@ class LoadCIF {
63786
63750
  // Retrieve the table corresponding to the struct_sheet_range category, which delineates mainly beta sheet
63787
63751
  let struct_sheet_range = block.getCategory("_struct_sheet_range");
63788
63752
 
63789
- let chain1Array = struct_sheet_range.getColumn("beg_auth_asym_id").data;
63790
- let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id").data;
63753
+ let chain1Array = struct_sheet_range.getColumn("beg_auth_asym_id");
63754
+ let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id");
63791
63755
 
63792
- struct_sheet_range.getColumn("end_auth_asym_id").data;
63793
- let resi2Array = struct_sheet_range.getColumn("end_label_seq_id").data;
63756
+ struct_sheet_range.getColumn("end_auth_asym_id");
63757
+ let resi2Array = struct_sheet_range.getColumn("end_label_seq_id");
63794
63758
 
63795
63759
  // Iterate through every row in the struct_sheet_range category table, where each row delineates an interatomic connection
63796
63760
  let sheetSize = struct_sheet_range.rowCount;
63797
63761
  for (let i = 0; i < sheetSize; ++i) {
63798
- let startChain = chain1Array[i];
63799
- let startResi = parseInt(resi1Array[i]);
63800
- let endResi = parseInt(resi2Array[i]);
63762
+ let startChain = chain1Array.getString(i);
63763
+ let startResi = parseInt(resi1Array.getString(i));
63764
+ let endResi = parseInt(resi2Array.getString(i));
63801
63765
 
63802
63766
  for(let j = startResi; j <= endResi; ++j) {
63803
63767
  let resid = structure + "_" + startChain + "_" + j;
@@ -63817,28 +63781,28 @@ class LoadCIF {
63817
63781
  // Retrieve the table corresponding to the struct_conn category, which delineates connections1
63818
63782
  let struct_conn = block.getCategory("_struct_conn");
63819
63783
 
63820
- let conn_type_idArray = struct_conn.getColumn("conn_type_id").data;
63784
+ let conn_type_idArray = struct_conn.getColumn("conn_type_id");
63821
63785
 
63822
- let chain1Array = struct_conn.getColumn("ptnr1_auth_asym_id").data;
63823
- let name1Array = struct_conn.getColumn("ptnr1_label_atom_id").data;
63824
- let resi1Array = struct_conn.getColumn("ptnr1_label_seq_id").data;
63786
+ let chain1Array = struct_conn.getColumn("ptnr1_auth_asym_id");
63787
+ let name1Array = struct_conn.getColumn("ptnr1_label_atom_id");
63788
+ let resi1Array = struct_conn.getColumn("ptnr1_label_seq_id");
63825
63789
 
63826
- let chain2Array = struct_conn.getColumn("ptnr2_auth_asym_id").data;
63827
- let name2Array = struct_conn.getColumn("ptnr2_label_atom_id").data;
63828
- let resi2Array = struct_conn.getColumn("ptnr2_label_seq_id").data;
63790
+ let chain2Array = struct_conn.getColumn("ptnr2_auth_asym_id");
63791
+ let name2Array = struct_conn.getColumn("ptnr2_label_atom_id");
63792
+ let resi2Array = struct_conn.getColumn("ptnr2_label_seq_id");
63829
63793
 
63830
63794
  let connSize = struct_conn.rowCount;
63831
63795
  for (let i = 0; i < connSize; ++i) {
63832
- let conn_type_id = conn_type_idArray[i];
63796
+ let conn_type_id = conn_type_idArray.getString(i);
63833
63797
 
63834
- let chain1 = chain1Array[i];
63835
- name1Array[i];
63836
- let resi1 = resi1Array[i];
63798
+ let chain1 = chain1Array.getString(i);
63799
+ name1Array.getString(i);
63800
+ let resi1 = resi1Array.getString(i);
63837
63801
  let id1 = structure + '_' + chain1 + "_" + resi1;
63838
63802
 
63839
- let chain2 = chain2Array[i];
63840
- name2Array[i];
63841
- let resi2 = resi2Array[i];
63803
+ let chain2 = chain2Array.getString(i);
63804
+ name2Array.getString(i);
63805
+ let resi2 = resi2Array.getString(i);
63842
63806
  let id2 = structure + '_' + chain2 + "_" + resi2;
63843
63807
 
63844
63808
  // Verify that the linkage is covalent, as indicated by the conn_type_id attribute2
@@ -63870,31 +63834,31 @@ class LoadCIF {
63870
63834
  // Retrieve the table corresponding to the struct_oper_list category, which delineates assembly
63871
63835
  let struct_oper_list = block.getCategory("_pdbx_struct_oper_list");
63872
63836
 
63873
- let struct_oper_idArray = struct_oper_list.getColumn("id").data;
63874
- let m11Array = struct_oper_list.getColumn("matrix[1][1]").data;
63875
- let m12Array = struct_oper_list.getColumn("matrix[1][2]").data;
63876
- let m13Array = struct_oper_list.getColumn("matrix[1][3]").data;
63877
- let m14Array = struct_oper_list.getColumn("vector[1]").data;
63837
+ let struct_oper_idArray = struct_oper_list.getColumn("id");
63838
+ let m11Array = struct_oper_list.getColumn("matrix[1][1]");
63839
+ let m12Array = struct_oper_list.getColumn("matrix[1][2]");
63840
+ let m13Array = struct_oper_list.getColumn("matrix[1][3]");
63841
+ let m14Array = struct_oper_list.getColumn("vector[1]");
63878
63842
 
63879
- let m21Array = struct_oper_list.getColumn("matrix[2][1]").data;
63880
- let m22Array = struct_oper_list.getColumn("matrix[2][2]").data;
63881
- let m23Array = struct_oper_list.getColumn("matrix[2][3]").data;
63882
- let m24Array = struct_oper_list.getColumn("vector[2]").data;
63843
+ let m21Array = struct_oper_list.getColumn("matrix[2][1]");
63844
+ let m22Array = struct_oper_list.getColumn("matrix[2][2]");
63845
+ let m23Array = struct_oper_list.getColumn("matrix[2][3]");
63846
+ let m24Array = struct_oper_list.getColumn("vector[2]");
63883
63847
 
63884
- let m31Array = struct_oper_list.getColumn("matrix[3][1]").data;
63885
- let m32Array = struct_oper_list.getColumn("matrix[3][2]").data;
63886
- let m33Array = struct_oper_list.getColumn("matrix[3][3]").data;
63887
- let m34Array = struct_oper_list.getColumn("vector[3]").data;
63848
+ let m31Array = struct_oper_list.getColumn("matrix[3][1]");
63849
+ let m32Array = struct_oper_list.getColumn("matrix[3][2]");
63850
+ let m33Array = struct_oper_list.getColumn("matrix[3][3]");
63851
+ let m34Array = struct_oper_list.getColumn("vector[3]");
63888
63852
 
63889
63853
  let assemblySize = struct_oper_list.rowCount;
63890
63854
  for (let i = 0; i < assemblySize; ++i) {
63891
- let struct_oper_id = struct_oper_idArray[i];
63855
+ let struct_oper_id = struct_oper_idArray.getString(i);
63892
63856
  if(struct_oper_id == "X0") continue;
63893
63857
 
63894
63858
  if (ic.biomtMatrices[i] == undefined) ic.biomtMatrices[i] = new THREE.Matrix4().identity();
63895
- ic.biomtMatrices[i].set(m11Array[i], m12Array[i], m13Array[i], m14Array[i],
63896
- m21Array[i], m22Array[i], m23Array[i], m24Array[i],
63897
- m31Array[i], m32Array[i], m33Array[i], m34Array[i],
63859
+ ic.biomtMatrices[i].set(m11Array.getString(i), m12Array.getString(i), m13Array.getString(i), m14Array.getString(i),
63860
+ m21Array.getString(i), m22Array.getString(i), m23Array.getString(i), m24Array.getString(i),
63861
+ m31Array.getString(i), m32Array.getString(i), m33Array.getString(i), m34Array.getString(i),
63898
63862
  0, 0, 0, 1);
63899
63863
  }
63900
63864
 
@@ -63937,41 +63901,42 @@ class LoadCIF {
63937
63901
  ic.opts['nucleotides'] = 'o3 trace'; //nucleotide cartoon, o3 trace, schematic, lines, stick,
63938
63902
  }
63939
63903
 
63940
- let atom_hetatmArray = atom_site.getColumn("group_PDB").data;
63941
- let resnArray = atom_site.getColumn("label_comp_id").data;
63942
- let elemArray = atom_site.getColumn("type_symbol").data;
63943
- let nameArray = atom_site.getColumn("label_atom_id").data;
63944
-
63945
- let chainArray = atom_site.getColumn("auth_asym_id").data;
63946
-
63947
- let resiArray = atom_site.getColumn("label_seq_id").data;
63948
- let resiOriArray = atom_site.getColumn("auth_seq_id").data;
63949
- let altArray = atom_site.getColumn("label_alt_id").data;
63950
-
63951
- let bArray = atom_site.getColumn("B_iso_or_equiv").data;
63952
-
63953
- let xArray = atom_site.getColumn("Cartn_x").data;
63954
- let yArray = atom_site.getColumn("Cartn_y").data;
63955
- let zArray = atom_site.getColumn("Cartn_z").data;
63956
-
63957
- let autochainArray = atom_site.getColumn("label_asym_id").data;
63904
+ let atom_hetatmArray = atom_site.getColumn("group_PDB");
63905
+ let resnArray = atom_site.getColumn("label_comp_id");
63906
+ let elemArray = atom_site.getColumn("type_symbol");
63907
+ let nameArray = atom_site.getColumn("label_atom_id");
63908
+
63909
+ let chainArray = atom_site.getColumn("auth_asym_id");
63910
+
63911
+ let resiArray = atom_site.getColumn("label_seq_id");
63912
+ let resiOriArray = atom_site.getColumn("auth_seq_id");
63913
+ let altArray = atom_site.getColumn("label_alt_id");
63914
+
63915
+ let bArray = atom_site.getColumn("B_iso_or_equiv");
63916
+
63917
+ let xArray = atom_site.getColumn("Cartn_x");
63918
+ let yArray = atom_site.getColumn("Cartn_y");
63919
+ let zArray = atom_site.getColumn("Cartn_z");
63920
+
63921
+ let autochainArray = atom_site.getColumn("label_asym_id");
63958
63922
 
63959
63923
  // get the bond info
63960
63924
  let ligSeqHash = {}, prevAutochain = '';
63961
63925
  let prevResn;
63962
63926
  let sChain = {};
63963
63927
  for (let i = 0; i < atomSize; ++i) {
63964
- let atom_hetatm = atom_hetatmArray[i];
63965
- let resn = resnArray[i];
63966
- let elem = elemArray[i];
63967
- let atom = nameArray[i];
63968
- let chain = chainArray[i];
63969
- let resi = resiArray[i];
63970
- let oriResi = resiOriArray[i];
63971
- let alt = altArray[i];
63972
- let bFactor = bArray[i];
63973
-
63974
- let autochain = autochainArray[i];
63928
+ let atom_hetatm = atom_hetatmArray.getString(i);
63929
+ let resn = resnArray.getString(i);
63930
+ let elem = elemArray.getString(i);
63931
+ let atom = nameArray.getString(i);
63932
+ let chain = chainArray.getString(i);
63933
+ let resi = resiArray.getString(i);
63934
+ let oriResi = resiOriArray.getString(i);
63935
+ let alt = altArray.getString(i);
63936
+ let bFactor = bArray.getString(i);
63937
+
63938
+ let autochain = autochainArray.getString(i);
63939
+
63975
63940
 
63976
63941
  resi = oriResi;
63977
63942
 
@@ -64074,9 +64039,9 @@ class LoadCIF {
64074
64039
 
64075
64040
  //let chain_resi = chain + "_" + resi;
64076
64041
 
64077
- let x = xArray[i];
64078
- let y = yArray[i];
64079
- let z = zArray[i];
64042
+ let x = xArray.getFloat(i);
64043
+ let y = yArray.getFloat(i);
64044
+ let z = zArray.getFloat(i);
64080
64045
  let coord = new THREE.Vector3(x, y, z);
64081
64046
 
64082
64047
  let atomDetails = {
@@ -64236,19 +64201,19 @@ class LoadCIF {
64236
64201
  if(block.getCategory("_pdbx_poly_seq_scheme")) {
64237
64202
  let poly_seq_scheme = block.getCategory("_pdbx_poly_seq_scheme");
64238
64203
 
64239
- let resiArray = poly_seq_scheme.getColumn("seq_id").data;
64240
- let oriResiArray = poly_seq_scheme.getColumn("pdb_seq_num").data;
64241
- let resnArray = poly_seq_scheme.getColumn("mon_id").data;
64242
- let chainArray = poly_seq_scheme.getColumn("pdb_strand_id").data;
64204
+ let resiArray = poly_seq_scheme.getColumn("seq_id");
64205
+ let oriResiArray = poly_seq_scheme.getColumn("pdb_seq_num");
64206
+ let resnArray = poly_seq_scheme.getColumn("mon_id");
64207
+ let chainArray = poly_seq_scheme.getColumn("pdb_strand_id");
64243
64208
 
64244
64209
  let seqSize = poly_seq_scheme.rowCount;
64245
64210
  let prevChain = "";
64246
64211
  let seqArray = [];
64247
64212
  for (let i = 0; i < seqSize; ++i) {
64248
- resiArray[i];
64249
- let oriResi = oriResiArray[i];
64250
- let resn = resnArray[i];
64251
- let chain = chainArray[i];
64213
+ resiArray.getString(i);
64214
+ let oriResi = oriResiArray.getString(i);
64215
+ let resn = resnArray.getString(i);
64216
+ let chain = chainArray.getString(i);
64252
64217
 
64253
64218
  if(chain != prevChain && i > 0) {
64254
64219
  mChainSeq[prevChain] = seqArray;
@@ -81194,7 +81159,7 @@ class iCn3DUI {
81194
81159
  //even when multiple iCn3D viewers are shown together.
81195
81160
  this.pre = this.cfg.divid + "_";
81196
81161
 
81197
- this.REVISION = '3.31.0';
81162
+ this.REVISION = '3.31.1';
81198
81163
 
81199
81164
  // In nodejs, iCn3D defines "window = {navigator: {}}"
81200
81165
  this.bNode = (Object.keys(window).length < 2) ? true : false;