Opened 5 years ago

Closed 5 years ago

#3271 closed defect (fixed)

Line-ending issues for resaved PDB files

Reported by: jonathan@… Owned by: pett
Priority: normal Milestone:
Component: Input/Output Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Windows-10-10.0.18362
ChimeraX Version: 1.0rc202005190628 (2020-05-19 06:28:14 UTC)
Description
PDB export end of line delimiters are inconsistent.

I opened a trivial PDB with "\n" (not "\n\r") end of line delimiters.  I ran "addh" at the command prompt then saved the PDB with a different name.

The "ATOM" and "TERM" and "END" lines in the exported PDB had "\n" only.
The "HEADER", "TITLE" and "COMPND" lines had "\n\r".

For another file that also had "CONECT" lines, the exported version had "\n" only for the "CONECT" lines.

Log:
UCSF ChimeraX version: 1.0rc202005190628 (2020-05-19)  
© 2016-2020 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> help help:credits.html

> open D:/jonathan/work/projects/uwa-team-
> dna/assets/models/pdb/dna/edited/chromatin-6hkt-12-bp/original-without-
> hydrogen/chromatin-6hkt-12-bp-i-0012-c.pdb

chromatin-6hkt-12-bp-i-0012-c.pdb title:  
Structure of an H1-bound 6-nucleosome array [more info...]  
  

> addh

Summary of feedback from adding hydrogens to chromatin-6hkt-12-bp-i-0012-c.pdb
#1  
---  
notes | Chain-initial residues that are actual N termini:  
Chain-initial residues that are not actual N termini:  
Chain-final residues that are actual C termini:  
Chain-final residues that are not actual C termini:  
0 hydrogen bonds  
13 hydrogens added  
  

> save D:/jonathan/work/projects/uwa-team-
> dna/assets/models/pdb/dna/edited/chromatin-6hkt-12-bp/chromatin-6hkt-12-bp-
> h-added-i-0012-c.pdb




OpenGL version: 3.3.0 NVIDIA 436.48
OpenGL renderer: GeForce GTX 1070/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: ASUSTeK COMPUTER INC.
Model: G752VSK
OS: Microsoft Windows 10 Pro (Build 18363)
Memory: 34,310,238,208
MaxProcessMemory: 137,438,953,344
CPU: 8 Intel(R) Core(TM) i7-7700HQ CPU @ 2.80GHz"
PyQt version: 5.12.3
Compiled Qt version: 5.12.4
Runtime Qt version: 5.12.8
File attachment: pdb-export-eol-test-case.zip

pdb-export-eol-test-case.zip

Attachments (1)

pdb-export-eol-test-case.zip (1.8 KB ) - added by jonathan@… 5 years ago.
Added by email2trac

Download all attachments as: .zip

Change History (3)

by jonathan@…, 5 years ago

Added by email2trac

comment:1 by pett, 5 years ago

Component: UnassignedInput/Output
Owner: set to pett
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionLine-ending issues for resaved PDB files

comment:2 by pett, 5 years ago

Resolution: fixed
Status: acceptedclosed

The endings are now uniformly just newline. Fix available in next daily build and release candidate.

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