lp:emol

Created by Erik Thompson and last modified
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Owner:
Erik Thompson
Project:
emol!
Status:
Development

Recent revisions

53. By Erik Thompson

assigns an id number to an atom if it is missing

52. By Erik Thompson

_calcBonds method is now much, much faster

51. By Erik Thompson

added a residue class

50. By Erik Thompson

pdb_file.py now reads in the atomic residue and residue id number

49. By Erik Thompson

can now read .pdb files with dos style end-of-line characters

48. By Erik Thompson

enabled the line model as a menu option / setting

47. By Erik Thompson

added an experimental 'line' model in a failed attempt to improve speed for large molecules.

46. By Erik Thompson

added error handling for invalid atom number and invlalid atom coordinates

45. By Erik Thompson

now shows error message instead of freezing if it takes too long to read in the .pdb file

44. By Erik Thompson

fixed issue with CONECT record asking an atom to form a bond with itself

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