id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
3653	HETATM vs. ATOM	Tristan Croll	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        Linux-3.10.0-1127.13.1.el7.x86_64-x86_64-with-centos-7.8.2003-Core
ChimeraX Version: 1.0 (2020-06-04 23:15:07 UTC)
Description
When saving as mmCIF, unusual amino acids such as TYS in a protein sequence and capping residues like NH2 are incorrectly written as HETATM. Saving as PDB writes them as ATOM.

Log:
UCSF ChimeraX version: 1.0 (2020-06-04)  
© 2016-2020 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open 2rll

Summary of feedback from opening 2rll fetched from pdb  
---  
warning | Atom H1 is not in the residue template for SER /A:7  
note | Fetching compressed mmCIF 2rll from
http://files.rcsb.org/download/2rll.cif  
  
2rll title:  
CCR5 Nt(7-15) [more info...]  
  
Chain information for 2rll #1  
---  
Chain | Description  
A | 9-mer from C-C chemokine receptor type 5  
  

> save test.cif #1

> save test.pdb #1




OpenGL version: 3.3.0 NVIDIA 450.51.05
OpenGL renderer: TITAN Xp/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: Dell Inc.
Model: Precision T5600
OS: CentOS Linux 7 Core
Architecture: 64bit ELF
CPU: 32 Intel(R) Xeon(R) CPU E5-2687W 0 @ 3.10GHz
Cache Size: 20480 KB
Memory:
	              total        used        free      shared  buff/cache   available
	Mem:            62G        8.2G         42G        349M         12G         53G
	Swap:          4.9G          0B        4.9G

Graphics:
	03:00.0 VGA compatible controller [0300]: NVIDIA Corporation GP102 [TITAN Xp] [10de:1b02] (rev a1)	
	Subsystem: NVIDIA Corporation Device [10de:11df]	
	Kernel driver in use: nvidia
PyQt version: 5.12.3
Compiled Qt version: 5.12.4
Runtime Qt version: 5.12.8

}}}
"	defect	accepted	normal		Input/Output								all	ChimeraX