Changes between Initial Version and Version 4 of Ticket #881


Ignore:
Timestamp:
Oct 12, 2017, 5:40:14 PM (8 years ago)
Author:
Eric Pettersen
Comment:

Alt locs changed from bytes to strings when I implemented the add-hydrogen code, and Atoms.alt_locs didn't get updated correctly. Thanks for the diagnosis and fixes. Have committed them.

Legend:

Unmodified
Added
Removed
Modified

  • Ticket #881

    • Property Component Input/Output → Core
    • Property Owner changed from Greg Couch to Eric Pettersen
    • Property Resolution → fixed
    • Property Status assigned → closed

  • Ticket #881 – Description

    initial v4  
    53531 N N ° ALA A 1 1 -30.445 -3.477 17.238 1.00 37.77 1
    54542 C CA Š ALA A 1 1 -29.600 -4.080 16.174 1.00 37.77 1
    55 3 C C ALA A 1 1 -29.118 -5.476 16.573 1.00 37.77 1
     553 C C ALA A 1 1 -29.118 -5.476 16.573 1.00 37.77 1
    5656 ALA A 1 1 -28.345 -5.621 17.519 1.00 37.77 1
    57575 C CB — ALA A 1 1 -28.400 -3.169 15.894 1.00 20.66 1
    … …  
    61619 H HA ° ALA A 1 1 -30.194 -4.164 15.264 1.00 0.00 1
    626210 H HB1 Š ALA A 1 1 -27.781 -3.612 15.114 1.00 0.00 1
    63 11 H HB2 ALA A 1 1 -27.811 -3.055 16.804 1.00 0.00 1
     6311 H HB2 ALA A 1 1 -27.811 -3.055 16.804 1.00 0.00 1
    6464 ALA A 1 1 -28.754 -2.192 15.566 1.00 0.00 1
    656513 N N — GLY A 1 2 -29.573 -6.500 15.857 1.00 0.47 1