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Merge pull request #6 from Electrostatics/nathan/properties
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Change many attributes to properties and improve documentation
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sobolevnrm authored Feb 28, 2021
2 parents b1876b2 + 0df7aa5 commit d25f1db
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6 changes: 4 additions & 2 deletions docs/changelog.rst
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Change log
==========

Current version
===============
1.0.0
=====

* Fixed readthedocs.io rendering of documentation (`#3 <https://github.com/Electrostatics/old_pdb/issues/3>`_)
* Changed several attributes to properties, per (`#5 <https://github.com/Electrostatics/old_pdb/issues/5>`_)
* Improved documentation of attributes (as properties)

0.0.1
=====
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426 changes: 219 additions & 207 deletions old_pdb/annotation.py

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62 changes: 31 additions & 31 deletions old_pdb/bookkeeping.py
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Expand Up @@ -75,37 +75,37 @@ class Master(BaseRecord):
It lists the number of lines in the coordinate entry or file for selected
record types.
+---------+-------------+-----------+-------------------------------------+
| COLUMNS | DATA TYPE | FIELD | DEFINITION |
+=========+=============+===========+=====================================+
| 1-6 | Record name | "MASTER" | |
+---------+-------------+-----------+-------------------------------------+
| 11-15 | Integer | numRemark | Number of REMARK records |
+---------+-------------+-----------+-------------------------------------+
| 16-20 | Integer | "0" | |
+---------+-------------+-----------+-------------------------------------+
| 21-25 | Integer | numHet | Number of HET records |
+---------+-------------+-----------+-------------------------------------+
| 26-30 | Integer | numHelix | Number of HELIX records |
+---------+-------------+-----------+-------------------------------------+
| 31-35 | Integer | numSheet | Number of SHEET records |
+---------+-------------+-----------+-------------------------------------+
| 36-40 | Integer | numTurn | deprecated |
+---------+-------------+-----------+-------------------------------------+
| 41-45 | Integer | numSite | Number of SITE records |
+---------+-------------+-----------+-------------------------------------+
| 46-50 | Integer | numXform | Number of coordinate transformation |
| | | | records (ORIGX+SCALE+MTRIX) |
+---------+-------------+-----------+-------------------------------------+
| 51-55 | Integer | numCoord | Number of atomic coordinate records |
| | | | records (ATOM+HETATM) |
+---------+-------------+-----------+-------------------------------------+
| 56-60 | Integer | numTer | Number of TER records |
+---------+-------------+-----------+-------------------------------------+
| 61-65 | Integer | numConect | Number of CONECT records |
+---------+-------------+-----------+-------------------------------------+
| 66-70 | Integer | numSeq | Number of SEQRES records |
+---------+-------------+-----------+-------------------------------------+
+---------+-------------+------------+------------------------------------+
| COLUMNS | DATA TYPE | FIELD | DEFINITION |
+=========+=============+============+====================================+
| 1-6 | Record name | "MASTER" | |
+---------+-------------+------------+------------------------------------+
| 11-15 | Integer | num_remark | Number of REMARK records |
+---------+-------------+------------+------------------------------------+
| 16-20 | Integer | "0" | |
+---------+-------------+------------+------------------------------------+
| 21-25 | Integer | num_het | Number of HET records |
+---------+-------------+------------+------------------------------------+
| 26-30 | Integer | num_helix | Number of HELIX records |
+---------+-------------+------------+------------------------------------+
| 31-35 | Integer | num_sheet | Number of SHEET records |
+---------+-------------+------------+------------------------------------+
| 36-40 | Integer | num_turn | deprecated |
+---------+-------------+------------+------------------------------------+
| 41-45 | Integer | num_site | Number of SITE records |
+---------+-------------+------------+------------------------------------+
| 46-50 | Integer | num_xform | Number of coordinate transform |
| | | | records (ORIGX+SCALE+MTRIX) |
+---------+-------------+------------+------------------------------------+
| 51-55 | Integer | num_coord | Number of atomic coordinate |
| | | | records (ATOM+HETATM) |
+---------+-------------+------------+------------------------------------+
| 56-60 | Integer | num_ter | Number of TER records |
+---------+-------------+------------+------------------------------------+
| 61-65 | Integer | num_conect | Number of CONECT records |
+---------+-------------+------------+------------------------------------+
| 66-70 | Integer | num_seq | Number of SEQRES records |
+---------+-------------+------------+------------------------------------+
"""

def __init__(self):
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