[ccp4bb] Shrodinger prime

Hello Everyone, I am sorry for off topic question, Is someone has Shrodinger prime license only for protein structure prediction? How much they charge for only for cloud version I need this figure urgently, just to put in the proposal. Please let me know Regards Dr. Rohit Kumar Singh Scientist

[ccp4bb] Protein's C-terminal neutral

e end, which is not the end residue of my purified protein) and I want to make it neutral (possibly a peptide bond in solution). Please let me know if I am clear enough with my question. Thank you -- Regards Dr. Rohit Kumar Singh Postdoctoral fellow Aurora C

[ccp4bb] convert loop into a sheet

am using ccp4-Refmac5 for the refinement. Thank you Rohit -- Regards Dr. Rohit Kumar Singh To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&

[ccp4bb] (scattering factors) f and f" for Sr Heavy atom

te or where to find these f and f" values for Sr heavy atoms? Please let me If you need any information from my side. Thank you in advance -- Regards Dr. Rohit Kumar Singh Postdoctoral fellow To unsubscribe from the C

[ccp4bb] Data 3 A

for Refmac the final R/Rfee is 23/30 and with satisfactory Ramachandran statistics as well as electron density and model in agreement with each other in coot. Does It mean that I have correct solution? Please suggest, -- Regards Dr. Rohit Kumar Singh Postdoctoral fellow

[ccp4bb] Iron Oxidising state

Dear All, I am solving a structure (resolution 2 A) of an enzyme having Iron as a metal cofactor. How could I know oxidising state of the bound Iron (Fe+2 or Fe+3)? Thank you in advance -- WITH REGARDS Dr. Rohit Kumar Singh

Re: [ccp4bb] PAK=0 problem

options correctly during refinement? On 15-Sep-2017 12:36 PM, "Eleanor Dodson" wrote: > PAK=0 is GOOD - i.e. there are no clashes between symmetry equivalent > molecules. > So I think you have solved your structure. > Eleanor > > On 15 September 2017 at 07:20, rohit

[ccp4bb] PAK=0 problem

know what strategies I can use to get correct solution. As I have tried all the combination in PHASER. Here I am attaching the result of PHASER . [image: Inline image 3] Thank you in advance -- WITH REGARDS Dr. Rohit Kumar Singh

[ccp4bb] Fix sidechain outliers

Dear All, Could anyone help me, how I can fix my sidechain outliers or clashscore in coot or in CCP4 tools. Or by using any online severs. Its urgent Thank You in advance -- WITH REGARDS Dr. Rohit Kumar Singh School of Life Sciences, Jawaharlal Nehru University New Delhi -110067

[ccp4bb] Single Phylum

? Please let me know if you need any information regarding this query. Thank you in advance WITH REGARDS Rohit Kumar Singh

[ccp4bb] R/Rfree values

suggest what is the main problem. Should I again process my data? And what is the best way to fine right space group (If problem with space group). Please tell me if you need any information regarding may data. -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life

Re: [ccp4bb] Enzyme kinetics

p; Molecular Biology* > *603 Wilson Rd., Rm. 513* > *Michigan State University * > *East Lansing, MI 48824-1319* > *Office:* *(517) 355-9724 Lab: (517) 353-9125* > *FAX: (517) 353-9334Email: rmgarav...@gmail.com > * > *

[ccp4bb] Enzyme kinetics

E2 at different pH (if i am not wrong). Please suggest. Thanks in advance. -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life Sciences, Jawaharlal Nehru University New Delhi -110067

[ccp4bb] dimeric region

Hello everyone, Can any one tell me the list of on line tool to calculate the dimeric area of protein structure and it gives all the possible residues involve in dimeric region. Other then PISA -- WITH REGARDS Rohit Kumar Singh

Re: [ccp4bb] Trouble with blot.

be > methanol charged > > On Fri, Mar 20, 2015 at 10:48 PM, rohit kumar wrote: > >> Dear all, >> >> sorry for off topic discussion. >> I am having trouble transferring protein onto PVDF membrane for >> N-terminal sequencing. When I used Tris-Glycine-Methanol in t

[ccp4bb] Trouble with blot.

tried transferring with variable current and durations (2hrs to overnight). Can anyone suggest what I might do?? -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life Sciences, Jawaharlal Nehru University New Delhi -110067

[ccp4bb] close contacts

Dear all, Is it possible to remove all the close contacts from the PDB structure in coot. Please suggest -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life Sciences, Jawaharlal Nehru University New Delhi -110067

[ccp4bb] Redundancy vs no of frames

Dear all, Can anyone tell me how to calculate number of frames from redundancy or vica versa Thank you

Re: [ccp4bb] Ramachandran outlier

15 at 7:47 AM, Tim Gruene > wrote: > >> Dear Rohit Kumar Singh, >> >> you can remove a couple of residues before and after the outlier and >> rebuild it. You can also switch on Ramachandran restraints in Coot and >> run real-space refinement. If this does not help, I wo

Re: [ccp4bb] Ramachandran outlier

otein fragment in the total protein assigned to the wrong electron >> density map >> position) , right? >> >> Dialing >> >> -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life Sciences, Jawaharlal Nehru University New Delhi -110067

[ccp4bb] best cryprotectant

Dear all, I got crystals in 1.4 M sodium/potassium phosphate, ph-8.2 condition. Could anyone tell me what is the best cryprotectant for this above condition. Thanks -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life Sciences, Jawaharlal Nehru University

Re: [ccp4bb] Fwd: [ccp4bb]

yes...right know its monoclinic (p21) space gp. On Fri, Nov 28, 2014 at 7:24 PM, Eleanor Dodson wrote: > Are you testing all SGs? for your known point group? > > Eleanor > > On 28 November 2014 at 13:34, rohit kumar wrote: > >> >> >> Dear all, >> >&

[ccp4bb] PHASER warning

. is it a right solution or not? or To get the right solution what should i do? if i used accept all the solution in expert parameter, i also got the solution but which does not follow the Packing test. Can anyone suggest... -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath

[ccp4bb] Fwd: [ccp4bb]

. is it a right solution or not? or To get the right solution what should i do? if i used accept all the solution in expert parameter, i also got the solution but which does not follow the Packing test. Can anyone suggest... -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath

[ccp4bb]

. is it a right solution or not? or To get the right solution what should i do? if i used accept all the solution in expert parameter, i also got the solution but which does not follow the Packing test. Can anyone suggest... -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath

[ccp4bb] omit map

dear all, can any one tell me how to calculate omit map in ccp4?. -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life Sciences, Jawaharlal Nehru University New Delhi -110067

[ccp4bb] error

tell me, what does it means? or how can i overcome with this error? thank you -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life Sciences, Jawaharlal Nehru University New Delhi -110067

[ccp4bb]

- $$ -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life Sciences, Jawaharlal Nehru University New Delhi -110067

[ccp4bb] Inhibitor screen

mixture of inhibitors (inhibitor cocktails) so that I can co-crystallize my protein with it. -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life Sciences, Jawaharlal Nehru University New Delhi -110067

[ccp4bb]

how we can say that this PLP is covalently attached to the Lys or its making Schiff base or not. -- WITH REGARDS Rohit Kumar Singh Lab. no. 430, P.I. Dr. S. Gourinath, School of Life Sciences, Jawaharlal Nehru University New Delhi -110067