User: khouli

gravatar for khouli
khouli30
Reputation:
30
Status:
New User
Location:
United States
Last seen:
2 years, 10 months ago
Joined:
4 years, 6 months ago
Email:
k*****@gmail.com

Posts by khouli

<prev • 4 results • page 1 of 1 • next >
1
vote
1
answer
872
views
1
answer
Systematically translate _symmetry.space_group_name_H-M to set of coordinate transforms
... Given an mmcif file, how can I systematically convert any `_symmetry.space_group_name_H-M` value into a set of coordinate transformations on the fractional coordinates of a structure? At the moment I'm not even sure where I can find a definitive listing of all values that could be used in `_symmetr ...
pdb cif structure mmcif written 3.2 years ago by khouli30 • updated 2.3 years ago by wojdyr40
1
vote
1
answer
680
views
1
answer
Does the cif or mmcif format specify limits on the number of values for items?
... Does the cif or mmcif specification specify limits on the number of values an item may have? For example, [here][1]'s the cif definition of `_struct.title`. It's hard to see what sense there would ever be in a structure having more than one title but it seems that there's nothing limiting the numbe ...
cif mmcif written 3.3 years ago by khouli30 • updated 2.5 years ago by wojdyr40
0
votes
1
answer
1.8k
views
1
answers
Comment: C: Use of Segments in PDB Files
... This doesn't seem like the original intent of the field. The PDB file format predates widespread usage of molecular dynamics and even today that's not the intended usage. On the other hand, maybe the original intent was simply as a generic "notepad". ...
written 4.6 years ago by khouli30
3
votes
1
answer
1.8k
views
1
answer
Use of Segments in PDB Files
... The PDB file format specifies that columns 73-76 of the ATOM and HETATM records are reserved for something called a "Segment identifier". PyMOL also makes references to "segments". In both cases, whatever a segment is it seems to go unused and is undocumented. What was the purpose of segments? Is i ...
pdb pymol written 4.6 years ago by khouli30 • updated 4.6 years ago by geek_y9.8k

Latest awards to khouli

No awards yet. Soon to come :-)

Help
Access

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.
Powered by Biostar version 2.3.0
Traffic: 674 users visited in the last hour