Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] add ligand with AceDRG

2024-04-26 Thread Yong Wang
Dear all, Perhaps the issue is that the refinement program should be able to handle the priority of ligand dictionary, i.e. your custom ligand ID and dictionary overrides any existing in the default collection. I have not had any trouble with LIG or SX1, both existing in PDB ligands. I also

[ccp4bb] Structural Biology position at Eli Lilly in Indianapolis, IN, U.S.A.

2022-04-29 Thread Yong Wang
Sorry about the mangled link. Here is the correct link: https://lilly.wd5.myworkdayjobs.com/LLY/job/US-Indianapolis-IN/Advisor---Structural-Biologist_R-30998 From: CCP4 bulletin board On Behalf Of Yong Wang Sent: Friday, April 29, 2022 1:01 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [EXTERNAL

[ccp4bb] Structural Biology position at Eli Lilly in Indianapolis, IN, U.S.A.

2022-04-28 Thread Yong Wang
with Eli Lilly and Company and its subsidiaries in the United States and Puerto Rico, you must be fully COVID-19 vaccinated and provide proof of vaccination satisfactory to the company (subject to applicable law). Regards, Yong Wang, Ph.D. Executive Director Global Structural Biology Lilly Researc

[ccp4bb] Structural Biology position at Eli Lilly in San Diego, CA

2022-04-28 Thread Yong Wang
United States and Puerto Rico, you must be fully COVID-19 vaccinated and provide proof of vaccination satisfactory to the company (subject to applicable law). Regards, Yong Wang, Ph.D. Executive Director Global Structural Biology Lilly Research Laboratories Lilly Corporate Center Indianapolis,

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] question using a model from a multiple model PDB file using Phaser

2021-12-13 Thread Yong Wang
Hi Randy, Thanks for the trouble shoot and update to the documentation. Now the keyword "MODEL SERIAL" is doing what it intends to do. My problem is fixed. Regards, Yong -Original Message- From: Randy John Read Sent: Friday, December 10, 2021 6:22 AM To: Yong Wang

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] question using a model from a multiple model PDB file using Phaser

2021-12-09 Thread Yong Wang
e to use ensembler to generate the ensemble! Best wishes, Randy Read > On 9 Dec 2021, at 21:00, Yong Wang > <3c4fc05cc53b-dmarc-requ...@jiscmail.ac.uk> wrote: > > Hi, > > > > The first model number in the pdb file is 1. In the script it is “MODEL 1

Re: [ccp4bb] question using a model from a multiple model PDB file using Phaser

2021-12-09 Thread Yong Wang
Hi, The first model number in the pdb file is 1. In the script it is "MODEL 1". I will try "MODEL 0" in the script to see how it goes. Thanks, Yong From: Boaz Shaanan Sent: Wednesday, December 8, 2021 7:37 AM To: Yong Wang Cc: CCP4BB@JISCMAIL.AC.UK Subject: [E

[ccp4bb] question using a model from a multiple model PDB file using Phaser

2021-12-07 Thread Yong Wang
AX ERROR: Use SERIAL -- $$ I am assuming that the error is from using the "MODEL 1" and not due to something else. Does anyone have any suggestion on this problem? Thanks, Yong Yong Wang, Ph.D. Senior Research Advisor Global Structural Biology Lilly Research Labor

Re: [ccp4bb] Wincoot stereo display on Windows 10

2020-03-24 Thread Yong Wang
Hi Eric, Yes. Hardware stereo on Windows 10 is sorely needed considering Windows 10 has been out for nearly 5 years and Windows 7 has been dropped from support. Regards, Yong From: ENNIFAR Eric (ARN) Sent: Tuesday, March 24, 2020 4:46 AM To: EchelonIV . ; Yong Wang Cc: CCP4BB Subject

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Wincoot stereo display on Windows 10

2020-03-23 Thread Yong Wang
. Thanks, Yong From: EchelonIV . Sent: Monday, March 23, 2020 2:53 PM To: Yong Wang Cc: CCP4BB@jiscmail.ac.uk Subject: [EXTERNAL] Re: [ccp4bb] Wincoot stereo display on Windows 10 EXTERNAL EMAIL: Use caution before replying, clicking links, and opening attachments. I tried all settings through

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Wincoot stereo display on Windows 10

2020-03-23 Thread Yong Wang
Hi Arne, Are you using Wincoot “hardware stereo” option on your laptop? Are you viewing the stereo directly on your laptop display or through a 3D external monitor? Thanks, Yong From: EchelonIV . Sent: Monday, March 23, 2020 2:12 PM To: Yong Wang Cc: CCP4BB@jiscmail.ac.uk Subject

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Wincoot stereo display on Windows 10

2020-03-23 Thread Yong Wang
, 2020 11:46 AM To: Yong Wang Cc: CCP4BB@jiscmail.ac.uk Subject: [EXTERNAL] Re: [ccp4bb] Wincoot stereo display on Windows 10 EXTERNAL EMAIL: Use caution before replying, clicking links, and opening attachments. Hello, stereo display works completely fine for me on Windows 10 (WinCoot version

Re: [ccp4bb] Wincoot stereo display on Windows 10

2020-03-23 Thread Yong Wang
: Monday, March 23, 2020 11:50 AM To: Yong Wang Cc: CCP4BB@JISCMAIL.AC.UK Subject: [EXTERNAL] Re: [ccp4bb] Wincoot stereo display on Windows 10 EXTERNAL EMAIL: Use caution before replying, clicking links, and opening attachments. Dear Yong, I tried hard but I couldn't find any way to make

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Wincoot stereo display on Windows 10

2020-03-23 Thread Yong Wang
Arne, Thanks! Now the challenge is to find version 0.8.6.1. It seems newer version does not work. Please let me know if you know a way to get hold of version 0.8.6.1. Yong From: EchelonIV . Sent: Monday, March 23, 2020 11:46 AM To: Yong Wang Cc: CCP4BB@jiscmail.ac.uk Subject: [EXTERNAL

[ccp4bb] Wincoot stereo display on Windows 10

2020-03-23 Thread Yong Wang
Hello, Wincoot stereo display works on Windows 7 but not on Windows 10 (program crashes as soon as stereo is enabled). It has been a while since Windows 10 became the main Windows platform. Has anyone found a way to get Wincoot stereo display to work on Windows 10? Thanks, Yong Research

Re: [ccp4bb] Wincoot middle-mouse button does not work

2020-03-23 Thread Yong Wang
Dear Herman, My middle-mouse button works with Wincoot. I happened to be using version 0.8.7 (for a different reason). Newer versions probably should also work. I am using a three button mouse. Yong From: CCP4 bulletin board On Behalf Of Schreuder, Herman /DE Sent: Monday, March 23,

Re: [ccp4bb] [EXTERNAL] [ccp4bb] 3D Glasses (stereo)

2019-02-08 Thread Yong Wang
We have no problem with 3D vision under Windows 7. You don't even need high-end Quadro graphics cards. Make sure your graphics driver is up-to-date. The challenge now is to find the 3D ready monitors, especially large sized (>24"). Yong -Original Message- From: CCP4 bulletin board

Re: [ccp4bb] [EXTERNAL] [ccp4bb] Pymol alignment command grammar help

2017-03-17 Thread Yong Wang
The “name” means atom names, e.g. n for nitrogen (backbone), yes, you would use “name” (or n. in short) in your command. From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Alex Lee Sent: Friday, March 17, 2017 2:34 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [EXTERNAL] [ccp4bb]

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] B-factors/Occupancies Versus "Local Resolution"

2017-03-07 Thread Yong Wang
Ian, Won’t the spatial resolution of the electron density map be determined more or less by the “resolution” (d-spacing)? While the normal electron density includes model contribution, what about the resolution of the Patterson map? For the case of powder diffraction, after the lines are

Re: [ccp4bb] Coot and Pymol 3D in Quadro M4000 Graphics Card under Windows 10

2017-01-31 Thread Yong Wang
Xiao, I had a direct connection from display port to display port that had worked for several years (Windows 7). Since last year I have been losing the stereo. Often the control panel won’t show the 120 Hz like what you saw. Sometimes I was able to forcefully add a 120 Hz resolution (using

Re: [ccp4bb] FW: New ligand 3-letter code (help-7071)

2015-06-20 Thread Yong Wang
Sharing a ligand name should only be limited to having the same compound, i.e. same 2D structure or connectivity. Each deposition should have its own 3D coordinates. If a different publication gets your ligand 3D coordinates (2Y59 actually embodies the atomic coordinates from the 2Y2I), that

Re: [ccp4bb] Easy way to generate symmetry-related protein chains? (summary)

2015-05-22 Thread Yong Wang
Yes, Save Symmetry Coordinates in COOT is a very easy way. To avoid text editing, you can first reload the pdb and use the Copy Fragment ... under Extensions/Modeling to get the desired chains. Then use the Merge Molecules under Calculate to assemble. Yong -Original Message- From:

Re: [ccp4bb] Two kinds of solvent-accessible-surface ?

2015-05-15 Thread Yong Wang
Pymol should draw the molecular surface (or Connolly surface) by default. If you want the solvent accessible surface, turn on the option solvent accessible under Setting/Surface. Yong -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Edward A.

Re: [ccp4bb] chloride or water

2015-01-21 Thread Yong Wang
The discrepancy between using the original mtz and an updated mtz is likely the result of the Fobs being placed on the Fcalc scale from Refmac output, not direct reading of Fcalc. -YW -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Keller,

Re: [ccp4bb] making high res image in pymol

2014-01-28 Thread Yong Wang
-- Yong Wang, Ph.D. Research Advisor, Discovery Chemistry Research Eli Lilly Company Phone: 317-655-9145 Lilly Corporate Center DC 0403 Fax: 317-651-6333 Indianapolis, IN 46285

Re: [ccp4bb] Two P1 xtals with same xtal contacts give 2 different asymmetric units

2014-01-23 Thread Yong Wang
density. The equivalent assembly of asu can happen to any crystal form but if you try to keep the equivalent molecules together, it may appear more easily in P1 due to the arbitrary origin shift in P1. [cid:image001.png@01CF1824.9A115470] Cheers, Yong Wang, Ph.D

Re: [ccp4bb] how to make the crystal thicker

2013-05-29 Thread Yong Wang
. --- Yong Wang, Ph.D. Research Advisor, Discovery Chemistry Research Eli Lilly Company Phone: 317-655-9145