Re: [ccp4bb] Script to refine water molecules - help

2023-06-26 Thread De La Torre Marquez, Pedro Luis
=..SIGFP=.. FPART1 and PHIP1 But I am not sure that is a very good idea? - there will be no restraint terms between the atoms contributing to FPART and the waters Good luck Eleanor On Mon, 26 Jun 2023 at 21:44, De La Torre Marquez, Pedro Luis mailto:pedro_delatorremarq...@meei.harvard.edu

Re: [ccp4bb] Script to refine water molecules - help

2023-06-26 Thread De La Torre Marquez, Pedro Luis
Thanks Eleanor. Yes, only refine waters. Best regards, Pedro From: Eleanor Dodson Sent: Monday, June 26, 2023 4:42 PM To: De La Torre Marquez, Pedro Luis Cc: CCP4BB@jiscmail.ac.uk Subject: Re: [ccp4bb] Script to refine water molecules - help

[ccp4bb] Script to refine water molecules - help

2023-06-26 Thread De La Torre Marquez, Pedro Luis
Dear all, I hope everything is going well. Back in 2019, I was using a script to refine all water molecules automatically during the refinement of an X-ray crystal structure. I no longer remember such script. Any suggestion? I will really appreciate it. Pedro. The information in this e-mail

[ccp4bb] CrystalEX 96 Well Flat Bottom Protein Crystallization Microplates from Corning (#3785D2) are out of stock

2022-11-15 Thread De La Torre Marquez, Pedro Luis
Hi, I am Pedro and hope everything is going well. I was using the CrystalEX 96 Well Flat Bottom Protein Crystallization Microplates from Corning (#3785D2) which is discontinued and out of stock. I am wondering if the best option as an alternative is the CrystalEX Second Generation Corning