icn3d 3.31.2 → 3.31.3

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package/icn3d.js CHANGED
@@ -3577,20 +3577,20 @@ THREE.OrthographicTrackballControls.prototype = Object.create( THREE.EventDispat
3577
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  THREE.OrthographicTrackballControls.prototype.constructor = THREE.OrthographicTrackballControls;
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3578
 
3579
3579
 
3580
- ; var __CIFTools = function () {
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- 'use strict';
3580
+ // ; var __CIFTools = function () {
3581
+ // 'use strict';
3582
3582
  /*
3583
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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 = {}));
3589
3589
  /*
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3590
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
3591
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  */
3592
- var CIFTools;
3593
- (function (CIFTools) {
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+ // var CIFTools;
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+ // (function (CIFTools) {
3594
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  var Utils;
3595
3595
  (function (Utils) {
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  var ChunkedArray;
@@ -3728,7 +3728,7 @@ var CIFTools;
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  ChunkedArray.create = create;
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  })(ChunkedArray = Utils.ChunkedArray || (Utils.ChunkedArray = {}));
3730
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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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  /*
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  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
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  */
@@ -3738,9 +3738,9 @@ 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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  */
3741
- var CIFTools;
3742
- (function (CIFTools) {
3743
- var Utils;
3741
+ // var CIFTools;
3742
+ // (function (CIFTools) {
3743
+ // var Utils;
3744
3744
  (function (Utils) {
3745
3745
  var FastNumberParsers;
3746
3746
  (function (FastNumberParsers) {
@@ -3820,13 +3820,13 @@ var CIFTools;
3820
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  FastNumberParsers.parseFloat = parseFloat;
3821
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  })(FastNumberParsers = Utils.FastNumberParsers || (Utils.FastNumberParsers = {}));
3822
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  })(Utils = CIFTools.Utils || (CIFTools.Utils = {}));
3823
- })(CIFTools || (CIFTools = {}));
3823
+ // })(CIFTools || (CIFTools = {}));
3824
3824
  /*
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3825
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
3826
3826
  */
3827
- var CIFTools;
3828
- (function (CIFTools) {
3829
- var Utils;
3827
+ // var CIFTools;
3828
+ // (function (CIFTools) {
3829
+ // var Utils;
3830
3830
  (function (Utils) {
3831
3831
  var __paddingSpaces = [];
3832
3832
  (function () {
@@ -3969,13 +3969,13 @@ var CIFTools;
3969
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  StringWriter.writeFloatPadRight = writeFloatPadRight;
3970
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  })(StringWriter = Utils.StringWriter || (Utils.StringWriter = {}));
3971
3971
  })(Utils = CIFTools.Utils || (CIFTools.Utils = {}));
3972
- })(CIFTools || (CIFTools = {}));
3972
+ // })(CIFTools || (CIFTools = {}));
3973
3973
  /*
3974
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  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
3975
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  */
3976
- var CIFTools;
3977
- (function (CIFTools) {
3978
- "use strict";
3976
+ // var CIFTools;
3977
+ // (function (CIFTools) {
3978
+ // "use strict";
3979
3979
  /**
3980
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  * Represents a column that is not present.
3981
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  */
@@ -4035,13 +4035,13 @@ var CIFTools;
4035
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  }
4036
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  Category.getVector = getVector;
4037
4037
  })(Category = CIFTools.Category || (CIFTools.Category = {}));
4038
- })(CIFTools || (CIFTools = {}));
4038
+ // })(CIFTools || (CIFTools = {}));
4039
4039
  /*
4040
4040
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
4041
4041
  */
4042
- var CIFTools;
4043
- (function (CIFTools) {
4044
- "use strict";
4042
+ // var CIFTools;
4043
+ // (function (CIFTools) {
4044
+ // "use strict";
4045
4045
  var ParserResult;
4046
4046
  (function (ParserResult) {
4047
4047
  function error(message, line) {
@@ -4079,7 +4079,7 @@ var CIFTools;
4079
4079
  return ParserSuccess;
4080
4080
  }());
4081
4081
  CIFTools.ParserSuccess = ParserSuccess;
4082
- })(CIFTools || (CIFTools = {}));
4082
+ // })(CIFTools || (CIFTools = {}));
4083
4083
  /*
4084
4084
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
4085
4085
  */
@@ -4123,8 +4123,8 @@ var CIFTools;
4123
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  in memory that is very efficient, fast and introduces a very minimal overhead.
4124
4124
 
4125
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  */
4126
- var CIFTools;
4127
- (function (CIFTools) {
4126
+ // var CIFTools;
4127
+ // (function (CIFTools) {
4128
4128
  var Text;
4129
4129
  (function (Text) {
4130
4130
  "use strict";
@@ -4348,13 +4348,13 @@ var CIFTools;
4348
4348
  }());
4349
4349
  Text.Column = Column;
4350
4350
  })(Text = CIFTools.Text || (CIFTools.Text = {}));
4351
- })(CIFTools || (CIFTools = {}));
4351
+ // })(CIFTools || (CIFTools = {}));
4352
4352
  /*
4353
4353
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
4354
4354
  */
4355
- var CIFTools;
4356
- (function (CIFTools) {
4357
- var Text;
4355
+ // var CIFTools;
4356
+ // (function (CIFTools) {
4357
+ // var Text;
4358
4358
  (function (Text) {
4359
4359
  "use strict";
4360
4360
  var TokenIndexBuilder;
@@ -4868,13 +4868,13 @@ var CIFTools;
4868
4868
  }
4869
4869
  Text.parse = parse;
4870
4870
  })(Text = CIFTools.Text || (CIFTools.Text = {}));
4871
- })(CIFTools || (CIFTools = {}));
4871
+ // })(CIFTools || (CIFTools = {}));
4872
4872
  /*
4873
4873
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
4874
4874
  */
4875
- var CIFTools;
4876
- (function (CIFTools) {
4877
- var Text;
4875
+ // var CIFTools;
4876
+ // (function (CIFTools) {
4877
+ // var Text;
4878
4878
  (function (Text) {
4879
4879
  "use strict";
4880
4880
  var StringWriter = CIFTools.Utils.StringWriter;
@@ -5114,12 +5114,12 @@ var CIFTools;
5114
5114
  }
5115
5115
  }
5116
5116
  })(Text = CIFTools.Text || (CIFTools.Text = {}));
5117
- })(CIFTools || (CIFTools = {}));
5117
+ // })(CIFTools || (CIFTools = {}));
5118
5118
  /*
5119
5119
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
5120
5120
  */
5121
- var CIFTools;
5122
- (function (CIFTools) {
5121
+ // var CIFTools;
5122
+ // (function (CIFTools) {
5123
5123
  var Binary;
5124
5124
  (function (Binary) {
5125
5125
  var MessagePack;
@@ -5335,13 +5335,13 @@ var CIFTools;
5335
5335
  MessagePack.decode = decode;
5336
5336
  })(MessagePack = Binary.MessagePack || (Binary.MessagePack = {}));
5337
5337
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
5338
- })(CIFTools || (CIFTools = {}));
5338
+ // })(CIFTools || (CIFTools = {}));
5339
5339
  /*
5340
5340
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
5341
5341
  */
5342
- var CIFTools;
5343
- (function (CIFTools) {
5344
- var Binary;
5342
+ // var CIFTools;
5343
+ // (function (CIFTools) {
5344
+ // var Binary;
5345
5345
  (function (Binary) {
5346
5346
  var MessagePack;
5347
5347
  (function (MessagePack) {
@@ -5629,13 +5629,13 @@ var CIFTools;
5629
5629
  }
5630
5630
  })(MessagePack = Binary.MessagePack || (Binary.MessagePack = {}));
5631
5631
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
5632
- })(CIFTools || (CIFTools = {}));
5632
+ // })(CIFTools || (CIFTools = {}));
5633
5633
  /*
5634
5634
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
5635
5635
  */
5636
- var CIFTools;
5637
- (function (CIFTools) {
5638
- var Binary;
5636
+ // var CIFTools;
5637
+ // (function (CIFTools) {
5638
+ // var Binary;
5639
5639
  (function (Binary) {
5640
5640
  var MessagePack;
5641
5641
  (function (MessagePack) {
@@ -5755,13 +5755,13 @@ var CIFTools;
5755
5755
  MessagePack.utf8ByteCount = utf8ByteCount;
5756
5756
  })(MessagePack = Binary.MessagePack || (Binary.MessagePack = {}));
5757
5757
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
5758
- })(CIFTools || (CIFTools = {}));
5758
+ // })(CIFTools || (CIFTools = {}));
5759
5759
  /*
5760
5760
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
5761
5761
  */
5762
- var CIFTools;
5763
- (function (CIFTools) {
5764
- var Binary;
5762
+ // var CIFTools;
5763
+ // (function (CIFTools) {
5764
+ // var Binary;
5765
5765
  (function (Binary) {
5766
5766
  "use strict";
5767
5767
  /**
@@ -5963,13 +5963,13 @@ var CIFTools;
5963
5963
  }
5964
5964
  })(Decoder || (Decoder = {}));
5965
5965
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
5966
- })(CIFTools || (CIFTools = {}));
5966
+ // })(CIFTools || (CIFTools = {}));
5967
5967
  /*
5968
5968
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
5969
5969
  */
5970
- var CIFTools;
5971
- (function (CIFTools) {
5972
- var Binary;
5970
+ // var CIFTools;
5971
+ // (function (CIFTools) {
5972
+ // var Binary;
5973
5973
  (function (Binary) {
5974
5974
  "use strict";
5975
5975
  var File = /** @class */ (function () {
@@ -6127,13 +6127,13 @@ var CIFTools;
6127
6127
  return MaskedStringColumn;
6128
6128
  }());
6129
6129
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
6130
- })(CIFTools || (CIFTools = {}));
6130
+ // })(CIFTools || (CIFTools = {}));
6131
6131
  /*
6132
6132
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
6133
6133
  */
6134
- var CIFTools;
6135
- (function (CIFTools) {
6136
- var Binary;
6134
+ // var CIFTools;
6135
+ // (function (CIFTools) {
6136
+ // var Binary;
6137
6137
  (function (Binary) {
6138
6138
  "use strict";
6139
6139
  /**
@@ -6493,13 +6493,13 @@ var CIFTools;
6493
6493
  Encoder.stringArray = stringArray;
6494
6494
  })(Encoder = Binary.Encoder || (Binary.Encoder = {}));
6495
6495
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
6496
- })(CIFTools || (CIFTools = {}));
6496
+ // })(CIFTools || (CIFTools = {}));
6497
6497
  /*
6498
6498
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
6499
6499
  */
6500
- var CIFTools;
6501
- (function (CIFTools) {
6502
- var Binary;
6500
+ // var CIFTools;
6501
+ // (function (CIFTools) {
6502
+ // var Binary;
6503
6503
  (function (Binary) {
6504
6504
  "use strict";
6505
6505
  Binary.VERSION = '0.3.0';
@@ -6534,13 +6534,13 @@ var CIFTools;
6534
6534
  Encoding.isSignedIntegerDataType = isSignedIntegerDataType;
6535
6535
  })(Encoding = Binary.Encoding || (Binary.Encoding = {}));
6536
6536
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
6537
- })(CIFTools || (CIFTools = {}));
6537
+ // })(CIFTools || (CIFTools = {}));
6538
6538
  /*
6539
6539
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
6540
6540
  */
6541
- var CIFTools;
6542
- (function (CIFTools) {
6543
- var Binary;
6541
+ // var CIFTools;
6542
+ // (function (CIFTools) {
6543
+ // var Binary;
6544
6544
  (function (Binary) {
6545
6545
  "use strict";
6546
6546
  function checkVersions(min, current) {
@@ -6567,13 +6567,13 @@ var CIFTools;
6567
6567
  }
6568
6568
  Binary.parse = parse;
6569
6569
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
6570
- })(CIFTools || (CIFTools = {}));
6570
+ // })(CIFTools || (CIFTools = {}));
6571
6571
  /*
6572
6572
  * Copyright (c) 2016 - now David Sehnal, licensed under MIT License, See LICENSE file for more info.
6573
6573
  */
6574
- var CIFTools;
6575
- (function (CIFTools) {
6576
- var Binary;
6574
+ // var CIFTools;
6575
+ // (function (CIFTools) {
6576
+ // var Binary;
6577
6577
  (function (Binary) {
6578
6578
  "use strict";
6579
6579
  function encodeField(field, data, totalCount) {
@@ -6676,17 +6676,17 @@ var CIFTools;
6676
6676
  }());
6677
6677
  Binary.Writer = Writer;
6678
6678
  })(Binary = CIFTools.Binary || (CIFTools.Binary = {}));
6679
- })(CIFTools || (CIFTools = {}));
6680
- return CIFTools;
6681
- }
6682
- if (typeof module === 'object' && typeof module.exports === 'object') {
6683
- module.exports = __CIFTools();
6684
- } else if (typeof define === 'function' && define.amd) {
6685
- define(['require'], function(require) { return __CIFTools(); })
6686
- } else {
6687
- var __target = !!window ? window : this;
6688
- __target.CIFTools = __CIFTools();
6689
- }
6679
+ })(CIFTools || (CIFTools = {}));
6680
+ // return CIFTools;
6681
+ // }
6682
+ // if (typeof module === 'object' && typeof module.exports === 'object') {
6683
+ // module.exports = __CIFTools();
6684
+ // } else if (typeof define === 'function' && define.amd) {
6685
+ // define(['require'], function(require) { return __CIFTools(); })
6686
+ // } else {
6687
+ // var __target = !!window ? window : this;
6688
+ // __target.CIFTools = __CIFTools();
6689
+ // }
6690
6690
 
6691
6691
 
6692
6692
  'use strict';
@@ -16925,7 +16925,6 @@ class Events {
16925
16925
  thisClass.setLogCmd('load mmcif file ' + $("#" + me.pre + "mmciffile").val(), false);
16926
16926
  ic.molTitle = "";
16927
16927
 
16928
- /*
16929
16928
  // let url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
16930
16929
  // //ic.bCid = undefined;
16931
16930
 
@@ -16943,19 +16942,6 @@ class Events {
16943
16942
  ic.InputfileType = 'mmcif';
16944
16943
  // await ic.mmcifParserCls.loadMmcifData(data);
16945
16944
  await ic.opmParserCls.loadOpmData(dataStr, undefined, undefined, 'mmcif', undefined, bText);
16946
- */
16947
-
16948
- let url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
16949
-
16950
- let dataObj = {'mmciffile': dataStr};
16951
- let data = await me.getAjaxPostPromise(url, dataObj, true);
16952
-
16953
- //ic.initUI();
16954
- ic.init();
16955
- ic.bInputfile = true;
16956
- ic.InputfileData = (ic.InputfileData) ? ic.InputfileData + '\nENDMDL\n' + data : data;
16957
- ic.InputfileType = 'mmcif';
16958
- await ic.mmcifParserCls.loadMmcifData(data);
16959
16945
  };
16960
16946
  reader.readAsText(file);
16961
16947
  }
@@ -54482,7 +54468,6 @@ class MmcifParser {
54482
54468
  let url = "https://files.rcsb.org/download/" + mmcifid + ".cif";
54483
54469
  let data = await me.getAjaxPromise(url, 'text', true);
54484
54470
 
54485
- /*
54486
54471
  // url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
54487
54472
  // let dataObj = {'mmciffile': data};
54488
54473
  // let data2 = await me.getAjaxPostPromise(url, dataObj, true);
@@ -54495,13 +54480,6 @@ class MmcifParser {
54495
54480
 
54496
54481
  // await this.loadMmcifData(bcifJson, mmcifid);
54497
54482
  await ic.opmParserCls.loadOpmData(data, mmcifid, undefined, 'mmcif', undefined, bText);
54498
- */
54499
-
54500
- url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
54501
- let dataObj = {'mmciffile': data};
54502
- let data2 = await me.getAjaxPostPromise(url, dataObj, true);
54503
-
54504
- await this.loadMmcifData(data2, mmcifid);
54505
54483
  }
54506
54484
 
54507
54485
  async downloadMmcifSymmetry(mmcifid, type) { let ic = this.icn3d, me = ic.icn3dui;
@@ -55196,8 +55174,6 @@ class BcifParser {
55196
55174
  await ic.opmParserCls.loadOpmData(bcifArrayBuffer, bcifid, undefined, 'bcif', undefined, bText);
55197
55175
  }
55198
55176
 
55199
- // For text mmCIF file, CIFTools library does not support atom_site.getColumn("Cartn_x").data,
55200
- // but just support atom_site.getColumn("Cartn_x").getFloat(i). So do not use "bText = true" for now.
55201
55177
  getBcifJson(bcifData, bcifid, bText, bNoCoord) { let ic = this.icn3d, me = ic.icn3dui;
55202
55178
  let text = "";
55203
55179
 
@@ -55260,25 +55236,25 @@ class BcifParser {
55260
55236
  // Retrieve the table corresponding to the struct_conf category, which delineates mainly helix
55261
55237
  let struct_conf = block.getCategory("_struct_conf");
55262
55238
 
55263
- let conf_type_idArray = struct_conf.getColumn("conf_type_id").data;
55239
+ let conf_type_idArray = struct_conf.getColumn("conf_type_id");
55264
55240
 
55265
- let chain1Array = struct_conf.getColumn("beg_auth_asym_id").data;
55266
- let resi1Array = struct_conf.getColumn("beg_label_seq_id").data;
55241
+ let chain1Array = struct_conf.getColumn("beg_auth_asym_id");
55242
+ let resi1Array = struct_conf.getColumn("beg_label_seq_id");
55267
55243
 
55268
- let chain2Array = struct_conf.getColumn("end_auth_asym_id").data;
55269
- let resi2Array = struct_conf.getColumn("end_label_seq_id").data;
55244
+ let chain2Array = struct_conf.getColumn("end_auth_asym_id");
55245
+ let resi2Array = struct_conf.getColumn("end_label_seq_id");
55270
55246
 
55271
55247
  // Iterate through every row in the struct_conf category table, where each row delineates an interatomic connection
55272
55248
  let confSize = struct_conf.rowCount;
55273
55249
  for (let i = 0; i < confSize; ++i) {
55274
- let conf_type_id = conf_type_idArray[i];
55250
+ let conf_type_id = conf_type_idArray.getString(i);
55275
55251
 
55276
- let chain1 = chain1Array[i];
55277
- let resi1 = resi1Array[i];
55252
+ let chain1 = chain1Array.getString(i);
55253
+ let resi1 = resi1Array.getString(i);
55278
55254
  let id1 = chain1 + "_" + resi1;
55279
55255
 
55280
- let chain2 = chain2Array[i];
55281
- let resi2 = resi2Array[i];
55256
+ let chain2 = chain2Array.getString(i);
55257
+ let resi2 = resi2Array.getString(i);
55282
55258
  let id2 = chain2 + "_" + resi2;
55283
55259
 
55284
55260
  let ss;
@@ -55310,23 +55286,23 @@ class BcifParser {
55310
55286
  // Retrieve the table corresponding to the struct_sheet_range category, which delineates mainly beta sheet
55311
55287
  let struct_sheet_range = block.getCategory("_struct_sheet_range");
55312
55288
 
55313
- let chain1Array = struct_sheet_range.getColumn("beg_auth_asym_id").data;
55314
- let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id").data;
55289
+ let chain1Array = struct_sheet_range.getColumn("beg_auth_asym_id");
55290
+ let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id");
55315
55291
 
55316
- let chain2Array = struct_sheet_range.getColumn("end_auth_asym_id").data;
55317
- let resi2Array = struct_sheet_range.getColumn("end_label_seq_id").data;
55292
+ let chain2Array = struct_sheet_range.getColumn("end_auth_asym_id");
55293
+ let resi2Array = struct_sheet_range.getColumn("end_label_seq_id");
55318
55294
 
55319
55295
  // Iterate through every row in the struct_sheet_range category table, where each row delineates an interatomic connection
55320
55296
  let sheetSize = struct_sheet_range.rowCount;
55321
55297
  for (let i = 0; i < sheetSize; ++i) {
55322
- let chain1 = chain1Array[i];
55323
- let resi1 = resi1Array[i];
55298
+ let chain1 = chain1Array.getString(i);
55299
+ let resi1 = resi1Array.getString(i);
55324
55300
  let id1 = chain1 + "_" + resi1;
55325
55301
 
55326
55302
  sSSBegin[id1] = 1;
55327
55303
 
55328
- let chain2 = chain2Array[i];
55329
- let resi2 = resi2Array[i];
55304
+ let chain2 = chain2Array.getString(i);
55305
+ let resi2 = resi2Array.getString(i);
55330
55306
  let id2 = chain2 + "_" + resi2;
55331
55307
 
55332
55308
  sSSEnd[id2] = 1;
@@ -55351,28 +55327,28 @@ class BcifParser {
55351
55327
  // Retrieve the table corresponding to the struct_conn category, which delineates connections1
55352
55328
  let struct_conn = block.getCategory("_struct_conn");
55353
55329
 
55354
- let conn_type_idArray = struct_conn.getColumn("conn_type_id").data;
55330
+ let conn_type_idArray = struct_conn.getColumn("conn_type_id");
55355
55331
 
55356
- let chain1Array = struct_conn.getColumn("ptnr1_auth_asym_id").data;
55357
- let name1Array = struct_conn.getColumn("ptnr1_label_atom_id").data;
55358
- let resi1Array = struct_conn.getColumn("ptnr1_label_seq_id").data;
55332
+ let chain1Array = struct_conn.getColumn("ptnr1_auth_asym_id");
55333
+ let name1Array = struct_conn.getColumn("ptnr1_label_atom_id");
55334
+ let resi1Array = struct_conn.getColumn("ptnr1_label_seq_id");
55359
55335
 
55360
- let chain2Array = struct_conn.getColumn("ptnr2_auth_asym_id").data;
55361
- let name2Array = struct_conn.getColumn("ptnr2_label_atom_id").data;
55362
- let resi2Array = struct_conn.getColumn("ptnr2_label_seq_id").data;
55336
+ let chain2Array = struct_conn.getColumn("ptnr2_auth_asym_id");
55337
+ let name2Array = struct_conn.getColumn("ptnr2_label_atom_id");
55338
+ let resi2Array = struct_conn.getColumn("ptnr2_label_seq_id");
55363
55339
 
55364
55340
  let connSize = struct_conn.rowCount;
55365
55341
  for (let i = 0; i < connSize; ++i) {
55366
- let conn_type_id = conn_type_idArray[i];
55342
+ let conn_type_id = conn_type_idArray.getString(i);
55367
55343
 
55368
- let chain1 = chain1Array[i];
55369
- let name1 = name1Array[i];
55370
- let resi1 = resi1Array[i];
55344
+ let chain1 = chain1Array.getString(i);
55345
+ let name1 = name1Array.getString(i);
55346
+ let resi1 = resi1Array.getString(i);
55371
55347
  let id1 = chain1 + "_" + resi1 + "_" + name1;
55372
55348
 
55373
- let chain2 = chain2Array[i];
55374
- let name2 = name2Array[i];
55375
- let resi2 = resi2Array[i];
55349
+ let chain2 = chain2Array.getString(i);
55350
+ let name2 = name2Array.getString(i);
55351
+ let resi2 = resi2Array.getString(i);
55376
55352
  let id2 = chain2 + "_" + resi2 + "_" + name2;
55377
55353
 
55378
55354
  // Verify that the linkage is covalent, as indicated by the conn_type_id attribute2
@@ -55413,40 +55389,40 @@ class BcifParser {
55413
55389
  let atom_hetatmArray, resnArray, elemArray, nameArray, chainArray, resiArray, resiOriArray, altArray, bArray, xArray, yArray, zArray, autochainArray = [];
55414
55390
 
55415
55391
  if(!bNoCoord) {
55416
- atom_hetatmArray = atom_site.getColumn("group_PDB").data;
55417
- resnArray = atom_site.getColumn("label_comp_id").data;
55418
- elemArray = atom_site.getColumn("type_symbol").data;
55419
- nameArray = atom_site.getColumn("label_atom_id").data;
55392
+ atom_hetatmArray = atom_site.getColumn("group_PDB");
55393
+ resnArray = atom_site.getColumn("label_comp_id");
55394
+ elemArray = atom_site.getColumn("type_symbol");
55395
+ nameArray = atom_site.getColumn("label_atom_id");
55420
55396
 
55421
- chainArray = atom_site.getColumn("auth_asym_id").data;
55397
+ chainArray = atom_site.getColumn("auth_asym_id");
55422
55398
 
55423
- resiArray = atom_site.getColumn("label_seq_id").data;
55424
- resiOriArray = atom_site.getColumn("auth_seq_id").data;
55425
- altArray = atom_site.getColumn("label_alt_id").data;
55399
+ resiArray = atom_site.getColumn("label_seq_id");
55400
+ resiOriArray = atom_site.getColumn("auth_seq_id");
55401
+ altArray = atom_site.getColumn("label_alt_id");
55426
55402
 
55427
- bArray = atom_site.getColumn("B_iso_or_equiv").data;
55403
+ bArray = atom_site.getColumn("B_iso_or_equiv");
55428
55404
 
55429
- xArray = atom_site.getColumn("Cartn_x").data;
55430
- yArray = atom_site.getColumn("Cartn_y").data;
55431
- zArray = atom_site.getColumn("Cartn_z").data;
55405
+ xArray = atom_site.getColumn("Cartn_x");
55406
+ yArray = atom_site.getColumn("Cartn_y");
55407
+ zArray = atom_site.getColumn("Cartn_z");
55432
55408
 
55433
- autochainArray = atom_site.getColumn("label_asym_id").data;
55409
+ autochainArray = atom_site.getColumn("label_asym_id");
55434
55410
 
55435
55411
  // get the bond info
55436
55412
  let ligSeqHash = {}, prevAutochain = '';
55437
55413
  for (let i = 0; i < atomSize; ++i) {
55438
- let atom_hetatm = atom_hetatmArray[i];
55439
- let resn = resnArray[i];
55440
- let elem = elemArray[i];
55441
- let name = nameArray[i];
55414
+ let atom_hetatm = atom_hetatmArray.getString(i);
55415
+ let resn = resnArray.getString(i);
55416
+ let elem = elemArray.getString(i);
55417
+ let name = nameArray.getString(i);
55442
55418
  // use the chain name from author, and use seq id from standardized seq id
55443
55419
  //let chain = atom_site.getColumn("label_asym_id").getString(i);
55444
- let chain = chainArray[i];
55445
- let resi = resiArray[i];
55446
- let oriResi = resiOriArray[i];
55447
- let alt = altArray[i];
55420
+ let chain = chainArray.getString(i);
55421
+ let resi = resiArray.getString(i);
55422
+ let oriResi = resiOriArray.getString(i);
55423
+ let alt = altArray.getString(i);
55448
55424
 
55449
- let autochain = autochainArray[i];
55425
+ let autochain = autochainArray.getString(i);
55450
55426
 
55451
55427
  resi = oriResi;
55452
55428
 
@@ -55517,9 +55493,9 @@ class BcifParser {
55517
55493
  }
55518
55494
  }
55519
55495
 
55520
- let x = xArray[i];
55521
- let y = yArray[i];
55522
- let z = zArray[i];
55496
+ let x = xArray.getFloat(i);
55497
+ let y = yArray.getFloat(i);
55498
+ let z = zArray.getFloat(i);
55523
55499
 
55524
55500
  let id = serial.toString();
55525
55501
 
@@ -55615,18 +55591,18 @@ class BcifParser {
55615
55591
  }
55616
55592
 
55617
55593
  for (let i = 0; i < atomSize; ++i) {
55618
- let atom_hetatm = atom_hetatmArray[i];
55619
- let resn = resnArray[i];
55620
- let elem = elemArray[i];
55621
- let name = nameArray[i];
55594
+ let atom_hetatm = atom_hetatmArray.getString(i);
55595
+ let resn = resnArray.getString(i);
55596
+ let elem = elemArray.getString(i);
55597
+ let name = nameArray.getString(i);
55622
55598
  // use the chain name from author, and use seq id from standardized seq id
55623
55599
  //let chain = atom_site.getColumn("label_asym_id").getString(i);
55624
- let chain = chainArray[i];
55625
- let resi = resiArray[i];
55626
- let oriResi = resiOriArray[i];
55627
- let alt = altArray[i];
55600
+ let chain = chainArray.getString(i);
55601
+ let resi = resiArray.getString(i);
55602
+ let oriResi = resiOriArray.getString(i);
55603
+ let alt = altArray.getString(i);
55628
55604
 
55629
- let autochain = autochainArray[i];
55605
+ let autochain = autochainArray.getString(i);
55630
55606
 
55631
55607
  resi = oriResi;
55632
55608
 
@@ -55674,11 +55650,11 @@ class BcifParser {
55674
55650
  // }
55675
55651
  }
55676
55652
 
55677
- let b = bArray[i];
55653
+ let b = bArray.getString(i);
55678
55654
 
55679
- let x = xArray[i];
55680
- let y = yArray[i];
55681
- let z = zArray[i];
55655
+ let x = xArray.getFloat(i);
55656
+ let y = yArray.getFloat(i);
55657
+ let z = zArray.getFloat(i);
55682
55658
  //int serial = parseInt(atom_site(i, "id"));
55683
55659
 
55684
55660
  //let id = chain + "_" + resi + "_" + name;
@@ -55766,19 +55742,19 @@ class BcifParser {
55766
55742
  if(block.getCategory("_pdbx_poly_seq_scheme")) {
55767
55743
  let poly_seq_scheme = block.getCategory("_pdbx_poly_seq_scheme");
55768
55744
 
55769
- let resiArray = poly_seq_scheme.getColumn("seq_id").data;
55770
- let oriResiArray = poly_seq_scheme.getColumn("pdb_seq_num").data;
55771
- let resnArray = poly_seq_scheme.getColumn("mon_id").data;
55772
- let chainArray = poly_seq_scheme.getColumn("pdb_strand_id").data;
55745
+ let resiArray = poly_seq_scheme.getColumn("seq_id");
55746
+ let oriResiArray = poly_seq_scheme.getColumn("pdb_seq_num");
55747
+ let resnArray = poly_seq_scheme.getColumn("mon_id");
55748
+ let chainArray = poly_seq_scheme.getColumn("pdb_strand_id");
55773
55749
 
55774
55750
  let seqSize = poly_seq_scheme.rowCount;
55775
55751
  let prevChain = "";
55776
55752
  let seq = "";
55777
55753
  for (let i = 0; i < seqSize; ++i) {
55778
- resiArray[i];
55779
- let oriResi = oriResiArray[i];
55780
- let resn = resnArray[i];
55781
- let chain = chainArray[i];
55754
+ resiArray.getString(i);
55755
+ let oriResi = oriResiArray.getString(i);
55756
+ let resn = resnArray.getString(i);
55757
+ let chain = chainArray.getString(i);
55782
55758
 
55783
55759
  if(chain != prevChain) {
55784
55760
  if(i == 0) {
@@ -56207,19 +56183,16 @@ class OpmParser {
56207
56183
  if(type === 'mmtf') {
56208
56184
  await ic.bcifParserCls.parseBcifData(data, pdbid, bFull);
56209
56185
  }
56210
- else if(type === 'bcif') {
56211
- await ic.bcifParserCls.parseBcifData(data, pdbid, bFull);
56212
- }
56213
56186
  else
56214
56187
  */
56215
56188
 
56216
56189
  if(type === 'mmcif' || type === 'bcif') {
56217
- if(type === 'mmcif') {
56218
- ic.loadAtomDataCls.loadAtomDataIn(data, data.mmcif, 'mmcifid', undefined, undefined);
56219
- }
56220
- else if(type === 'bcif') {
56190
+ // if(type === 'mmcif') {
56191
+ // ic.loadAtomDataCls.loadAtomDataIn(data, data.mmcif, 'mmcifid', undefined, undefined);
56192
+ // }
56193
+ // else if(type === 'bcif') {
56221
56194
  ic.loadCIFCls.loadCIF(data, pdbid, bText);
56222
- }
56195
+ // }
56223
56196
 
56224
56197
  if(ic.emd !== undefined) {
56225
56198
  $("#" + ic.pre + "mapWrapper1").hide();
@@ -56235,7 +56208,7 @@ class OpmParser {
56235
56208
  if(Object.keys(ic.structures).length == 1) {
56236
56209
  $("#" + ic.pre + "alternateWrapper").hide();
56237
56210
  }
56238
-
56211
+ /*
56239
56212
  // load assembly info
56240
56213
  if(type === 'mmcif') {
56241
56214
  let assembly =(data.assembly !== undefined) ? data.assembly : [];
@@ -56247,7 +56220,7 @@ class OpmParser {
56247
56220
  }
56248
56221
  }
56249
56222
  }
56250
-
56223
+ */
56251
56224
  if(ic.biomtMatrices !== undefined && ic.biomtMatrices.length > 1) {
56252
56225
  $("#" + ic.pre + "assemblyWrapper").show();
56253
56226
 
@@ -56369,7 +56342,6 @@ class PdbParser {
56369
56342
  await this.loadPdbData(data, id, undefined, bAppend);
56370
56343
  }
56371
56344
  else if(type === 'mmcif') {
56372
- /*
56373
56345
  // let url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
56374
56346
  // let dataObj = {'mmciffile': data};
56375
56347
  // let data2 = await me.getAjaxPostPromise(url, dataObj, true);
@@ -56381,12 +56353,6 @@ class PdbParser {
56381
56353
 
56382
56354
  // await ic.mmcifParserCls.loadMmcifData(bcifJson, undefined);
56383
56355
  await ic.opmParserCls.loadOpmData(data, undefined, undefined, 'mmcif', undefined, bText);
56384
- */
56385
-
56386
- let url = me.htmlCls.baseUrl + "mmcifparser/mmcifparser.cgi";
56387
- let dataObj = {'mmciffile': data};
56388
- let data2 = await me.getAjaxPostPromise(url, dataObj, true);
56389
- await ic.mmcifParserCls.loadMmcifData(data2, undefined);
56390
56356
  }
56391
56357
  else if(type === 'mol2') {
56392
56358
  await ic.mol2ParserCls.loadMol2Data(data);
@@ -62733,8 +62699,6 @@ class LoadCIF {
62733
62699
  this.icn3d = icn3d;
62734
62700
  }
62735
62701
 
62736
- // For text mmCIF file, CIFTools library does not support atom_site.getColumn("Cartn_x").data,
62737
- // but just support atom_site.getColumn("Cartn_x").getFloat(i). So do not use "bText = true" for now.
62738
62702
  loadCIF(bcifData, bcifid, bText, bAppend) { let ic = this.icn3d, me = ic.icn3dui;
62739
62703
  let hAtoms = {};
62740
62704
 
@@ -62841,22 +62805,22 @@ class LoadCIF {
62841
62805
  // Retrieve the table corresponding to the struct_conf category, which delineates mainly helix
62842
62806
  let struct_conf = block.getCategory("_struct_conf");
62843
62807
 
62844
- let conf_type_idArray = struct_conf.getColumn("conf_type_id").data;
62808
+ let conf_type_idArray = struct_conf.getColumn("conf_type_id");
62845
62809
 
62846
- let chain1Array = struct_conf.getColumn("beg_auth_asym_id").data;
62847
- let resi1Array = struct_conf.getColumn("beg_label_seq_id").data;
62810
+ let chain1Array = struct_conf.getColumn("beg_auth_asym_id");
62811
+ let resi1Array = struct_conf.getColumn("beg_label_seq_id");
62848
62812
 
62849
- struct_conf.getColumn("end_auth_asym_id").data;
62850
- let resi2Array = struct_conf.getColumn("end_label_seq_id").data;
62813
+ struct_conf.getColumn("end_auth_asym_id");
62814
+ let resi2Array = struct_conf.getColumn("end_label_seq_id");
62851
62815
 
62852
62816
  // Iterate through every row in the struct_conf category table, where each row delineates an interatomic connection
62853
62817
  let confSize = struct_conf.rowCount;
62854
62818
  for (let i = 0; i < confSize; ++i) {
62855
- let conf_type_id = conf_type_idArray[i];
62819
+ let conf_type_id = conf_type_idArray.getString(i);
62856
62820
 
62857
- let startChain = chain1Array[i];
62858
- let startResi = parseInt(resi1Array[i]);
62859
- let endResi = parseInt(resi2Array[i]);
62821
+ let startChain = chain1Array.getString(i);
62822
+ let startResi = parseInt(resi1Array.getString(i));
62823
+ let endResi = parseInt(resi2Array.getString(i));
62860
62824
 
62861
62825
  if(conf_type_id.substr(0, 4) == "HELX") {
62862
62826
  for(let j = parseInt(startResi); j <= parseInt(endResi); ++j) {
@@ -62885,18 +62849,18 @@ class LoadCIF {
62885
62849
  // Retrieve the table corresponding to the struct_sheet_range category, which delineates mainly beta sheet
62886
62850
  let struct_sheet_range = block.getCategory("_struct_sheet_range");
62887
62851
 
62888
- let chain1Array = struct_sheet_range.getColumn("beg_auth_asym_id").data;
62889
- let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id").data;
62852
+ let chain1Array = struct_sheet_range.getColumn("beg_auth_asym_id");
62853
+ let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id");
62890
62854
 
62891
- struct_sheet_range.getColumn("end_auth_asym_id").data;
62892
- let resi2Array = struct_sheet_range.getColumn("end_label_seq_id").data;
62855
+ struct_sheet_range.getColumn("end_auth_asym_id");
62856
+ let resi2Array = struct_sheet_range.getColumn("end_label_seq_id");
62893
62857
 
62894
62858
  // Iterate through every row in the struct_sheet_range category table, where each row delineates an interatomic connection
62895
62859
  let sheetSize = struct_sheet_range.rowCount;
62896
62860
  for (let i = 0; i < sheetSize; ++i) {
62897
- let startChain = chain1Array[i];
62898
- let startResi = parseInt(resi1Array[i]);
62899
- let endResi = parseInt(resi2Array[i]);
62861
+ let startChain = chain1Array.getString(i);
62862
+ let startResi = parseInt(resi1Array.getString(i));
62863
+ let endResi = parseInt(resi2Array.getString(i));
62900
62864
 
62901
62865
  for(let j = startResi; j <= endResi; ++j) {
62902
62866
  let resid = structure + "_" + startChain + "_" + j;
@@ -62916,28 +62880,28 @@ class LoadCIF {
62916
62880
  // Retrieve the table corresponding to the struct_conn category, which delineates connections1
62917
62881
  let struct_conn = block.getCategory("_struct_conn");
62918
62882
 
62919
- let conn_type_idArray = struct_conn.getColumn("conn_type_id").data;
62883
+ let conn_type_idArray = struct_conn.getColumn("conn_type_id");
62920
62884
 
62921
- let chain1Array = struct_conn.getColumn("ptnr1_auth_asym_id").data;
62922
- let name1Array = struct_conn.getColumn("ptnr1_label_atom_id").data;
62923
- let resi1Array = struct_conn.getColumn("ptnr1_label_seq_id").data;
62885
+ let chain1Array = struct_conn.getColumn("ptnr1_auth_asym_id");
62886
+ let name1Array = struct_conn.getColumn("ptnr1_label_atom_id");
62887
+ let resi1Array = struct_conn.getColumn("ptnr1_label_seq_id");
62924
62888
 
62925
- let chain2Array = struct_conn.getColumn("ptnr2_auth_asym_id").data;
62926
- let name2Array = struct_conn.getColumn("ptnr2_label_atom_id").data;
62927
- let resi2Array = struct_conn.getColumn("ptnr2_label_seq_id").data;
62889
+ let chain2Array = struct_conn.getColumn("ptnr2_auth_asym_id");
62890
+ let name2Array = struct_conn.getColumn("ptnr2_label_atom_id");
62891
+ let resi2Array = struct_conn.getColumn("ptnr2_label_seq_id");
62928
62892
 
62929
62893
  let connSize = struct_conn.rowCount;
62930
62894
  for (let i = 0; i < connSize; ++i) {
62931
- let conn_type_id = conn_type_idArray[i];
62895
+ let conn_type_id = conn_type_idArray.getString(i);
62932
62896
 
62933
- let chain1 = chain1Array[i];
62934
- name1Array[i];
62935
- let resi1 = resi1Array[i];
62897
+ let chain1 = chain1Array.getString(i);
62898
+ name1Array.getString(i);
62899
+ let resi1 = resi1Array.getString(i);
62936
62900
  let id1 = structure + '_' + chain1 + "_" + resi1;
62937
62901
 
62938
- let chain2 = chain2Array[i];
62939
- name2Array[i];
62940
- let resi2 = resi2Array[i];
62902
+ let chain2 = chain2Array.getString(i);
62903
+ name2Array.getString(i);
62904
+ let resi2 = resi2Array.getString(i);
62941
62905
  let id2 = structure + '_' + chain2 + "_" + resi2;
62942
62906
 
62943
62907
  // Verify that the linkage is covalent, as indicated by the conn_type_id attribute2
@@ -62969,31 +62933,31 @@ class LoadCIF {
62969
62933
  // Retrieve the table corresponding to the struct_oper_list category, which delineates assembly
62970
62934
  let struct_oper_list = block.getCategory("_pdbx_struct_oper_list");
62971
62935
 
62972
- let struct_oper_idArray = struct_oper_list.getColumn("id").data;
62973
- let m11Array = struct_oper_list.getColumn("matrix[1][1]").data;
62974
- let m12Array = struct_oper_list.getColumn("matrix[1][2]").data;
62975
- let m13Array = struct_oper_list.getColumn("matrix[1][3]").data;
62976
- let m14Array = struct_oper_list.getColumn("vector[1]").data;
62936
+ let struct_oper_idArray = struct_oper_list.getColumn("id");
62937
+ let m11Array = struct_oper_list.getColumn("matrix[1][1]");
62938
+ let m12Array = struct_oper_list.getColumn("matrix[1][2]");
62939
+ let m13Array = struct_oper_list.getColumn("matrix[1][3]");
62940
+ let m14Array = struct_oper_list.getColumn("vector[1]");
62977
62941
 
62978
- let m21Array = struct_oper_list.getColumn("matrix[2][1]").data;
62979
- let m22Array = struct_oper_list.getColumn("matrix[2][2]").data;
62980
- let m23Array = struct_oper_list.getColumn("matrix[2][3]").data;
62981
- let m24Array = struct_oper_list.getColumn("vector[2]").data;
62942
+ let m21Array = struct_oper_list.getColumn("matrix[2][1]");
62943
+ let m22Array = struct_oper_list.getColumn("matrix[2][2]");
62944
+ let m23Array = struct_oper_list.getColumn("matrix[2][3]");
62945
+ let m24Array = struct_oper_list.getColumn("vector[2]");
62982
62946
 
62983
- let m31Array = struct_oper_list.getColumn("matrix[3][1]").data;
62984
- let m32Array = struct_oper_list.getColumn("matrix[3][2]").data;
62985
- let m33Array = struct_oper_list.getColumn("matrix[3][3]").data;
62986
- let m34Array = struct_oper_list.getColumn("vector[3]").data;
62947
+ let m31Array = struct_oper_list.getColumn("matrix[3][1]");
62948
+ let m32Array = struct_oper_list.getColumn("matrix[3][2]");
62949
+ let m33Array = struct_oper_list.getColumn("matrix[3][3]");
62950
+ let m34Array = struct_oper_list.getColumn("vector[3]");
62987
62951
 
62988
62952
  let assemblySize = struct_oper_list.rowCount;
62989
62953
  for (let i = 0; i < assemblySize; ++i) {
62990
- let struct_oper_id = struct_oper_idArray[i];
62954
+ let struct_oper_id = struct_oper_idArray.getString(i);
62991
62955
  if(struct_oper_id == "X0") continue;
62992
62956
 
62993
62957
  if (ic.biomtMatrices[i] == undefined) ic.biomtMatrices[i] = new THREE.Matrix4().identity();
62994
- ic.biomtMatrices[i].set(m11Array[i], m12Array[i], m13Array[i], m14Array[i],
62995
- m21Array[i], m22Array[i], m23Array[i], m24Array[i],
62996
- m31Array[i], m32Array[i], m33Array[i], m34Array[i],
62958
+ ic.biomtMatrices[i].set(m11Array.getString(i), m12Array.getString(i), m13Array.getString(i), m14Array.getString(i),
62959
+ m21Array.getString(i), m22Array.getString(i), m23Array.getString(i), m24Array.getString(i),
62960
+ m31Array.getString(i), m32Array.getString(i), m33Array.getString(i), m34Array.getString(i),
62997
62961
  0, 0, 0, 1);
62998
62962
  }
62999
62963
 
@@ -63036,41 +63000,42 @@ class LoadCIF {
63036
63000
  ic.opts['nucleotides'] = 'o3 trace'; //nucleotide cartoon, o3 trace, schematic, lines, stick,
63037
63001
  }
63038
63002
 
63039
- let atom_hetatmArray = atom_site.getColumn("group_PDB").data;
63040
- let resnArray = atom_site.getColumn("label_comp_id").data;
63041
- let elemArray = atom_site.getColumn("type_symbol").data;
63042
- let nameArray = atom_site.getColumn("label_atom_id").data;
63043
-
63044
- let chainArray = atom_site.getColumn("auth_asym_id").data;
63045
-
63046
- let resiArray = atom_site.getColumn("label_seq_id").data;
63047
- let resiOriArray = atom_site.getColumn("auth_seq_id").data;
63048
- let altArray = atom_site.getColumn("label_alt_id").data;
63049
-
63050
- let bArray = atom_site.getColumn("B_iso_or_equiv").data;
63051
-
63052
- let xArray = atom_site.getColumn("Cartn_x").data;
63053
- let yArray = atom_site.getColumn("Cartn_y").data;
63054
- let zArray = atom_site.getColumn("Cartn_z").data;
63055
-
63056
- let autochainArray = atom_site.getColumn("label_asym_id").data;
63003
+ let atom_hetatmArray = atom_site.getColumn("group_PDB");
63004
+ let resnArray = atom_site.getColumn("label_comp_id");
63005
+ let elemArray = atom_site.getColumn("type_symbol");
63006
+ let nameArray = atom_site.getColumn("label_atom_id");
63007
+
63008
+ let chainArray = atom_site.getColumn("auth_asym_id");
63009
+
63010
+ let resiArray = atom_site.getColumn("label_seq_id");
63011
+ let resiOriArray = atom_site.getColumn("auth_seq_id");
63012
+ let altArray = atom_site.getColumn("label_alt_id");
63013
+
63014
+ let bArray = atom_site.getColumn("B_iso_or_equiv");
63015
+
63016
+ let xArray = atom_site.getColumn("Cartn_x");
63017
+ let yArray = atom_site.getColumn("Cartn_y");
63018
+ let zArray = atom_site.getColumn("Cartn_z");
63019
+
63020
+ let autochainArray = atom_site.getColumn("label_asym_id");
63057
63021
 
63058
63022
  // get the bond info
63059
63023
  let ligSeqHash = {}, prevAutochain = '';
63060
63024
  let prevResn;
63061
63025
  let sChain = {};
63062
63026
  for (let i = 0; i < atomSize; ++i) {
63063
- let atom_hetatm = atom_hetatmArray[i];
63064
- let resn = resnArray[i];
63065
- let elem = elemArray[i];
63066
- let atom = nameArray[i];
63067
- let chain = chainArray[i];
63068
- let resi = resiArray[i];
63069
- let oriResi = resiOriArray[i];
63070
- let alt = altArray[i];
63071
- let bFactor = bArray[i];
63072
-
63073
- let autochain = autochainArray[i];
63027
+ let atom_hetatm = atom_hetatmArray.getString(i);
63028
+ let resn = resnArray.getString(i);
63029
+ let elem = elemArray.getString(i);
63030
+ let atom = nameArray.getString(i);
63031
+ let chain = chainArray.getString(i);
63032
+ let resi = resiArray.getString(i);
63033
+ let oriResi = resiOriArray.getString(i);
63034
+ let alt = altArray.getString(i);
63035
+ let bFactor = bArray.getString(i);
63036
+
63037
+ let autochain = autochainArray.getString(i);
63038
+
63074
63039
 
63075
63040
  resi = oriResi;
63076
63041
 
@@ -63173,9 +63138,9 @@ class LoadCIF {
63173
63138
 
63174
63139
  //let chain_resi = chain + "_" + resi;
63175
63140
 
63176
- let x = xArray[i];
63177
- let y = yArray[i];
63178
- let z = zArray[i];
63141
+ let x = xArray.getFloat(i);
63142
+ let y = yArray.getFloat(i);
63143
+ let z = zArray.getFloat(i);
63179
63144
  let coord = new THREE.Vector3(x, y, z);
63180
63145
 
63181
63146
  let atomDetails = {
@@ -63335,19 +63300,19 @@ class LoadCIF {
63335
63300
  if(block.getCategory("_pdbx_poly_seq_scheme")) {
63336
63301
  let poly_seq_scheme = block.getCategory("_pdbx_poly_seq_scheme");
63337
63302
 
63338
- let resiArray = poly_seq_scheme.getColumn("seq_id").data;
63339
- let oriResiArray = poly_seq_scheme.getColumn("pdb_seq_num").data;
63340
- let resnArray = poly_seq_scheme.getColumn("mon_id").data;
63341
- let chainArray = poly_seq_scheme.getColumn("pdb_strand_id").data;
63303
+ let resiArray = poly_seq_scheme.getColumn("seq_id");
63304
+ let oriResiArray = poly_seq_scheme.getColumn("pdb_seq_num");
63305
+ let resnArray = poly_seq_scheme.getColumn("mon_id");
63306
+ let chainArray = poly_seq_scheme.getColumn("pdb_strand_id");
63342
63307
 
63343
63308
  let seqSize = poly_seq_scheme.rowCount;
63344
63309
  let prevChain = "";
63345
63310
  let seqArray = [];
63346
63311
  for (let i = 0; i < seqSize; ++i) {
63347
- resiArray[i];
63348
- let oriResi = oriResiArray[i];
63349
- let resn = resnArray[i];
63350
- let chain = chainArray[i];
63312
+ resiArray.getString(i);
63313
+ let oriResi = oriResiArray.getString(i);
63314
+ let resn = resnArray.getString(i);
63315
+ let chain = chainArray.getString(i);
63351
63316
 
63352
63317
  if(chain != prevChain && i > 0) {
63353
63318
  mChainSeq[prevChain] = seqArray;
@@ -80293,7 +80258,7 @@ class iCn3DUI {
80293
80258
  //even when multiple iCn3D viewers are shown together.
80294
80259
  this.pre = this.cfg.divid + "_";
80295
80260
 
80296
- this.REVISION = '3.31.0';
80261
+ this.REVISION = '3.31.1';
80297
80262
 
80298
80263
  // In nodejs, iCn3D defines "window = {navigator: {}}"
80299
80264
  this.bNode = (Object.keys(window).length < 2) ? true : false;